General Information of the Compound
| Compound ID |
CP0471289
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| Compound Name |
US9464076, 15
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| Structure |
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| Formula |
C27H25N3O4S
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| Molecular Weight |
487.581
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| Canonical SMILES |
CN(Cc1cc(NC(=O)c2sc3c(ccc(C(C)=O)c3c2C)C(C)=O)nc2ccccc12)C(C)=O
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| InChI |
InChI=1S/C27H25N3O4S/c1-14-24-19(15(2)31)10-11-20(16(3)32)26(24)35-25(14)27(34)29-23-12-18(13-30(5)17(4)33)21-8-6-7-9-22(21)28-23/h6-12H,13H2,1-5H3,(H,28,29,34)
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| InChIKey |
QIPQXWGMDZSQDO-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