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2-Butynedioic acid; Diamide

AlkaPlorer ID: AK006149

Synonym: Butynediamide, Aquamycin, Cellocidin, Lenamycin

IUPAC Name: but-2-ynediamide

Structure

SMILES: NC(=O)C#CC(N)=O

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InChI: InChI=1S/C4H4N2O2/c5-3(7)1-2-4(6)8/h(H2,5,7)(H2,6,8)

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InChIKey: JBTGHKUTYAMZEZ-UHFFFAOYSA-N

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Reference

None

PubChem CID: 10971

CAS: 102489-37-2

SuperNatural Ⅲ: SN0161222

COCONUT: CNP0111468

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NPAtlas: NPA005011

Properties Information

Molecule Weight: 112.088

TPSA？: 86.18

MolLogP？: -2.0396

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 29241.52 nM None
Homo sapiens A498 GI50 53088.44 nM None
Homo sapiens A498 GI50 100000.0 nM None
Homo sapiens A549 GI50 73282.45 nM None
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens CAKI-1 GI50 6807.69 nM None
Homo sapiens CAKI-1 GI50 18155.16 nM None
Homo sapiens CCRF-CEM GI50 1936.42 nM None
Homo sapiens CCRF-CEM GI50 3076.1 nM None
Homo sapiens COLO 205 GI50 15135.61 nM None
Homo sapiens COLO 205 GI50 73620.71 nM None
Homo sapiens DLD-1 GI50 24154.61 nM None
Homo sapiens DLD-1 GI50 62517.27 nM None
Homo sapiens DMS-114 GI50 30549.21 nM None
Homo sapiens DMS-114 GI50 100000.0 nM None
Homo sapiens DMS-273 GI50 26791.68 nM None
Homo sapiens DMS-273 GI50 100000.0 nM None
Homo sapiens EKVX GI50 17579.24 nM None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens HCC 2998 GI50 58344.51 nM None
Homo sapiens HCC 2998 GI50 100000.0 nM None
Homo sapiens HCT-116 GI50 16749.43 nM None
Homo sapiens HCT-116 GI50 37497.3 nM None
Homo sapiens HCT-15 GI50 25941.79 nM None
Homo sapiens HCT-15 GI50 100000.0 nM None
Homo sapiens HL-60 GI50 1710.02 nM None
Homo sapiens HL-60 GI50 2517.68 nM None
Homo sapiens HOP-18 GI50 18238.96 nM None
Homo sapiens HOP-18 GI50 28183.83 nM None
Homo sapiens HOP-62 GI50 69183.1 nM None
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 1492.79 nM None
Homo sapiens HOP-92 GI50 20323.57 nM None
Homo sapiens HT-29 GI50 20796.97 nM None
Homo sapiens HT-29 GI50 41495.4 nM None
Homo sapiens IGROV-1 GI50 67452.8 nM None
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens K562 GI50 2910.72 nM None
Homo sapiens K562 GI50 4655.86 nM None
Homo sapiens KM12 GI50 48305.88 nM None
Homo sapiens KM12 GI50 100000.0 nM None
Homo sapiens KM-20L2 GI50 5794.29 nM None
Homo sapiens KM-20L2 GI50 100000.0 nM None
Homo sapiens LOX IMVI GI50 14487.72 nM None
Homo sapiens LOX IMVI GI50 18281.0 nM None
Homo sapiens LXFL 529 GI50 64863.44 nM None
Homo sapiens M14 GI50 19186.69 nM None
Homo sapiens M19-MEL GI50 10592.54 nM None
Homo sapiens M19-MEL GI50 28641.78 nM None
Homo sapiens Malme-3M GI50 7533.56 nM None
Homo sapiens Malme-3M GI50 13061.71 nM None
Homo sapiens MCF7 GI50 19319.68 nM None
Homo sapiens MOLT-4 GI50 3837.07 nM None
Homo sapiens MOLT-4 GI50 14190.58 nM None
Homo sapiens NCI/ADR-RES GI50 7144.96 nM None
Homo sapiens NCI-H226 GI50 62950.62 nM None
Homo sapiens NCI-H226 GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 58479.01 nM None
Homo sapiens NCI-H23 GI50 91201.08 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 187499.45 nM None
Homo sapiens NCI-H460 GI50 40364.54 nM None
Homo sapiens NCI-H460 GI50 100000.0 nM None
Homo sapiens NCI-H522 GI50 14190.58 nM None
Homo sapiens NCI-H522 GI50 21183.61 nM None
Homo sapiens OVCAR-3 GI50 25003.45 nM None
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 25763.21 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 20892.96 nM None
Homo sapiens OVCAR-5 GI50 53951.06 nM None
Homo sapiens OVCAR-8 GI50 8356.03 nM None
Homo sapiens OVCAR-8 GI50 19230.92 nM None
Homo sapiens RPMI-8226 GI50 2137.96 nM None
Homo sapiens RXF 393 GI50 6081.35 nM None
Homo sapiens RXF 393 GI50 14621.77 nM None
Homo sapiens RXF 631 GI50 100000.0 nM None
Homo sapiens SF-268 GI50 38904.51 nM None
Homo sapiens SF-268 GI50 60255.96 nM None
Homo sapiens SF-295 GI50 13835.66 nM None
Homo sapiens SF-295 GI50 25176.77 nM None
Homo sapiens SF-539 GI50 19543.39 nM None
Homo sapiens SF-539 GI50 24434.31 nM None
Homo sapiens SK-MEL-2 GI50 13708.82 nM None
Homo sapiens SK-MEL-2 GI50 21928.05 nM None
Homo sapiens SK-MEL-28 GI50 7079.46 nM None
Homo sapiens SK-MEL-28 GI50 13995.87 nM None
Homo sapiens SK-MEL-5 GI50 14996.85 nM None
Homo sapiens SK-MEL-5 GI50 54575.79 nM None
Homo sapiens SK-OV-3 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 108392.69 nM None
Homo sapiens SN12C GI50 14288.94 nM None
Homo sapiens SN12C GI50 36391.5 nM None
Homo sapiens SN12K1 GI50 12882.5 nM None
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 120503.59 nM None
Homo sapiens SNB-75 GI50 30130.06 nM None
Homo sapiens SNB-75 GI50 42169.65 nM None
Homo sapiens SNB-78 GI50 47315.13 nM None
Homo sapiens SNB-78 GI50 53951.06 nM None
Homo sapiens SR GI50 14554.59 nM None
Homo sapiens SW-620 GI50 3672.82 nM None
Homo sapiens SW-620 GI50 15170.5 nM None
Homo sapiens TK-10 GI50 20844.91 nM None
Homo sapiens U-251 GI50 40364.54 nM None
Homo sapiens U-251 GI50 100000.0 nM None
Homo sapiens UACC-257 GI50 4602.57 nM None
Homo sapiens UACC-257 GI50 13614.45 nM None
Homo sapiens UACC-62 GI50 14621.77 nM None
Homo sapiens UACC-62 GI50 19408.86 nM None
Homo sapiens UO-31 GI50 23988.33 nM None
Homo sapiens UO-31 GI50 28510.18 nM None
Homo sapiens XF498 GI50 17741.89 nM None
Mus musculus P388 GI50 383.71 nM None
Mus musculus P388/ADR GI50 1020.94 nM None

Metabolism Information