General Information of the Compound
| Compound ID |
CP0556445
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| Compound Name |
US9067871, 38
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| Structure |
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| Formula |
C23H28Cl2N2O2
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| Molecular Weight |
435.395
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| Canonical SMILES |
CC(C)(C)OC(=O)NC1CCc2ccc(CN)cc2C1Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H28Cl2N2O2/c1-23(2,3)29-22(28)27-21-9-7-16-6-4-15(13-26)11-17(16)18(21)10-14-5-8-19(24)20(25)12-14/h4-6,8,11-12,18,21H,7,9-10,13,26H2,1-3H3,(H,27,28)
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| InChIKey |
NIWMRCBQHHQCIN-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