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4-(Methylthio)canthin-6-one

AlkaPlorer ID: AK048976

Synonym: None

IUPAC Name: 4-methylsulfanyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

Structure

SMILES: CSC1=CC(=O)N2C3=CC=CC=C3C3=CC=NC1=C32

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InChI: InChI=1S/C15H10N2OS/c1-19-12-8-13(18)17-11-5-3-2-4-9(11)10-6-7-16-14(12)15(10)17/h2-8H,1H3

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InChIKey: HCKATCNEEDQXNJ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pulveroboletus curtisii Pulveroboletus Boletaceae Boletales Agaricomycetes Basidiomycota Fungi Eukaryota

Properties Information

Molecule Weight: 266.32500000000005

TPSA？: 34.370000000000005

MolLogP？: 3.1606000000000023

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A498 GI50 91411.32 nM None
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens CCRF-CEM GI50 100000.0 nM None
Homo sapiens COLO 205 GI50 100000.0 nM None
Homo sapiens DLD-1 GI50 49659.23 nM None
Homo sapiens DMS-114 GI50 100000.0 nM None
Homo sapiens DMS-273 GI50 79615.94 nM None
Homo sapiens EKVX GI50 24434.31 nM None
Homo sapiens HCC 2998 GI50 100000.0 nM None
Homo sapiens HCT-116 GI50 100000.0 nM None
Homo sapiens HCT-15 GI50 39719.15 nM None
Homo sapiens HL-60 GI50 100000.0 nM None
Homo sapiens HOP-18 GI50 7161.43 nM None
Homo sapiens HOP-62 GI50 35481.34 nM None
Homo sapiens HOP-92 GI50 65313.06 nM None
Homo sapiens HT-29 GI50 100000.0 nM None
Homo sapiens IGROV-1 GI50 25703.96 nM None
Homo sapiens K562 GI50 100000.0 nM None
Homo sapiens KM12 GI50 82224.26 nM None
Homo sapiens KM-20L2 GI50 61801.64 nM None
Homo sapiens LOX IMVI GI50 100000.0 nM None
Homo sapiens M19-MEL GI50 100000.0 nM None
Homo sapiens Malme-3M GI50 86696.19 nM None
Homo sapiens MCF7 GI50 34593.94 nM None
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens NCI/ADR-RES GI50 73790.42 nM None
Homo sapiens NCI-H226 GI50 14157.94 nM None
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H460 GI50 57016.43 nM None
Homo sapiens NCI-H522 GI50 81846.48 nM None
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 97051.0 nM None
Homo sapiens OVCAR-8 GI50 67920.36 nM None
Homo sapiens RPMI-8226 GI50 90782.05 nM None
Homo sapiens RXF 393 GI50 49203.95 nM None
Homo sapiens SF-268 GI50 49888.45 nM None
Homo sapiens SF-295 GI50 65162.84 nM None
Homo sapiens SF-539 GI50 50003.45 nM None
Homo sapiens SK-MEL-2 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-5 GI50 43351.09 nM None
Homo sapiens SK-OV-3 GI50 25585.86 nM None
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SN12K1 GI50 81470.43 nM None
Homo sapiens SNB-19 GI50 64268.77 nM None
Homo sapiens SNB-75 GI50 69342.58 nM None
Homo sapiens SNB-78 GI50 70794.58 nM None
Homo sapiens SW-620 GI50 100000.0 nM None
Homo sapiens U-251 GI50 55590.43 nM None
Homo sapiens UACC-257 GI50 54450.27 nM None
Homo sapiens UACC-62 GI50 41399.97 nM None
Homo sapiens UO-31 GI50 45603.69 nM None
Homo sapiens XF498 GI50 10.0 nM None
Mus musculus P388 GI50 100000.0 nM None
Mus musculus P388/ADR GI50 100000.0 nM None

Metabolism Information