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name Structure Reference Source Properties Activities Metabolism

146764-79-6

AlkaPlorer ID: AK052178

Synonym: None

IUPAC Name: 2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione

Structure

SMILES: CSC1=C(SC)C(=O)C2=CN(C)C(=O)C=C2C1=O

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InChI: InChI=1S/C12H11NO3S2/c1-13-5-7-6(4-8(13)14)9(15)11(17-2)12(18-3)10(7)16/h4-5H,1-3H3

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InChIKey: YCRBNFTXGDZHPI-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Biflustra perfragilis Biflustra Membraniporidae Cheilostomatida Gymnolaemata Bryozoa Metazoa Eukaryota

Properties Information

Molecule Weight: 281.358

TPSA？: 56.14

MolLogP？: 1.7018999999999995

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 13182.57 nM None
Homo sapiens A498 GI50 15135.61 nM None
Homo sapiens A549 GI50 16106.46 nM None
Homo sapiens ACHN GI50 1807.17 nM None
Homo sapiens BT-549 GI50 2137.96 nM None
Homo sapiens CCRF-CEM GI50 245.47 nM None
Homo sapiens COLO 205 GI50 1485.94 nM None
Homo sapiens DU-145 GI50 8472.27 nM None
Homo sapiens EKVX GI50 18281.0 nM None
Homo sapiens HCC 2998 GI50 17060.82 nM None
Homo sapiens HCT-116 GI50 1811.34 nM None
Homo sapiens HCT-15 GI50 2137.96 nM None
Homo sapiens HL-60 GI50 73.11 nM None
Homo sapiens HOP-62 GI50 9375.62 nM None
Homo sapiens HOP-92 GI50 903.65 nM None
Homo sapiens Hs-578T GI50 7673.61 nM None
Homo sapiens HT-29 GI50 6137.62 nM None
Homo sapiens IGROV-1 GI50 11117.32 nM None
Homo sapiens K562 GI50 399.02 nM None
Homo sapiens KM12 GI50 21627.19 nM None
Homo sapiens LOX IMVI GI50 1778.28 nM None
Homo sapiens M14 GI50 1733.8 nM None
Homo sapiens Malme-3M GI50 2238.72 nM None
Homo sapiens MCF7 GI50 2051.16 nM None
Homo sapiens MDA-MB-231 GI50 1866.38 nM None
Homo sapiens MDA-MB-435 GI50 1786.49 nM None
Homo sapiens MDA-N GI50 1636.82 nM None
Homo sapiens MOLT-4 GI50 1076.47 nM None
Homo sapiens NCI/ADR-RES GI50 19724.23 nM None
Homo sapiens NCI-H226 GI50 19860.95 nM None
Homo sapiens NCI-H23 GI50 4570.88 nM None
Homo sapiens NCI-H322M GI50 18281.0 nM None
Homo sapiens NCI-H460 GI50 9375.62 nM None
Homo sapiens NCI-H522 GI50 853.1 nM None
Homo sapiens OVCAR-3 GI50 1914.26 nM None
Homo sapiens OVCAR-4 GI50 1967.89 nM None
Homo sapiens OVCAR-5 GI50 20183.66 nM None
Homo sapiens OVCAR-8 GI50 44055.49 nM None
Homo sapiens PC-3 GI50 9549.93 nM None
Homo sapiens RPMI-8226 GI50 2404.36 nM None
Homo sapiens RXF 393 GI50 1887.99 nM None
Homo sapiens SF-268 GI50 11803.21 nM None
Homo sapiens SF-295 GI50 13031.67 nM None
Homo sapiens SF-539 GI50 9817.48 nM None
Homo sapiens SK-MEL-2 GI50 5058.25 nM None
Homo sapiens SK-MEL-28 GI50 2818.38 nM None
Homo sapiens SK-MEL-5 GI50 1745.82 nM None
Homo sapiens SK-OV-3 GI50 17498.47 nM None
Homo sapiens SN12C GI50 3265.88 nM None
Homo sapiens SNB-19 GI50 17100.15 nM None
Homo sapiens SNB-75 GI50 8669.62 nM None
Homo sapiens SR GI50 33.19 nM None
Homo sapiens SW-620 GI50 1741.81 nM None
Homo sapiens T47D GI50 2051.16 nM None
Homo sapiens TK-10 GI50 2333.46 nM None
Homo sapiens U-251 GI50 10185.91 nM None
Homo sapiens UACC-257 GI50 2344.23 nM None
Homo sapiens UACC-62 GI50 2697.74 nM None
Homo sapiens UO-31 GI50 1749.85 nM None

Metabolism Information