General Information of the Compound
| Compound ID |
CP0524398
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| Compound Name |
US8969325, 264
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| Structure |
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| Formula |
C24H27Cl2N3O3
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| Molecular Weight |
476.404
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3CCC(=O)N(C)c3c2)c2ccc(Cl)c(Cl)c2O1
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| InChI |
InChI=1S/C24H27Cl2N3O3/c1-4-24(5-2)13-18(16-9-10-17(25)21(26)22(16)32-24)28-23(31)27-15-8-6-14-7-11-20(30)29(3)19(14)12-15/h6,8-10,12,18H,4-5,7,11,13H2,1-3H3,(H2,27,28,31)/t18-/m1/s1
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| InChIKey |
MLMXWBFWPWYGDC-GOSISDBHSA-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