General Information of the Compound
| Compound ID |
CP0405876
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| Compound Name |
US9464076, 34
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| Structure |
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| Formula |
C27H29N3O4S
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| Molecular Weight |
491.613
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| Canonical SMILES |
COCc1ccc(C(C)=O)c2sc(C(=O)Nc3cc(CN(C)CCO)c4ccccc4n3)c(C)c12
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| InChI |
InChI=1S/C27H29N3O4S/c1-16-24-18(15-34-4)9-10-20(17(2)32)26(24)35-25(16)27(33)29-23-13-19(14-30(3)11-12-31)21-7-5-6-8-22(21)28-23/h5-10,13,31H,11-12,14-15H2,1-4H3,(H,28,29,33)
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| InChIKey |
KTFOVCCGELFQIO-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