General Information of the Compound
| Compound ID |
CP0575943
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| Compound Name |
US9464076, 7
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| Structure |
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| Formula |
C27H26N2O4S
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| Molecular Weight |
474.582
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| Canonical SMILES |
CCc1c(sc2c(ccc(C(C)=O)c12)C(C)=O)C(=O)Nc1cc(c2ccccc2n1)C(C)(C)O
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| InChI |
InChI=1S/C27H26N2O4S/c1-6-16-23-17(14(2)30)11-12-18(15(3)31)24(23)34-25(16)26(32)29-22-13-20(27(4,5)33)19-9-7-8-10-21(19)28-22/h7-13,33H,6H2,1-5H3,(H,28,29,32)
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| InChIKey |
GLFADPHNQIDBKM-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