General Information of the Compound
| Compound ID |
CP0538326
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| Compound Name |
CHEMBL3104907
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| Formula |
C21H19ClN4OS
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| Molecular Weight |
410.93
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| Canonical SMILES |
Cc1cc(SCc2cc(O)n3nc(Cc4ccccc4)nc3n2)c(C)cc1Cl
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| InChI |
InChI=1S/C21H19ClN4OS/c1-13-9-18(14(2)8-17(13)22)28-12-16-11-20(27)26-21(23-16)24-19(25-26)10-15-6-4-3-5-7-15/h3-9,11,27H,10,12H2,1-2H3
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| InChIKey |
PSXYVGKHUFEEHN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound