General Information of the Compound
| Compound ID |
CP0535667
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| Compound Name |
US9464076, 16
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| Structure |
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| Formula |
C25H24N2O3S
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| Molecular Weight |
432.545
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| Canonical SMILES |
CCC(=O)c1cccc2c(C)c(sc12)C(=O)Nc1cc(c2ccccc2n1)C(C)(C)O
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| InChI |
InChI=1S/C25H24N2O3S/c1-5-20(28)17-11-8-10-15-14(2)22(31-23(15)17)24(29)27-21-13-18(25(3,4)30)16-9-6-7-12-19(16)26-21/h6-13,30H,5H2,1-4H3,(H,26,27,29)
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| InChIKey |
IHQQHJPKQCWLKL-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