General Information of the Compound
| Compound ID |
CP0443050
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| Compound Name |
US8791272, 9.15
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| Structure |
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| Formula |
C27H31ClFN3O3
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| Molecular Weight |
500.014
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| Canonical SMILES |
CC(C)(C)c1nn(Cc2ccc(cc2)C(=O)Nc2ccc(F)c(Cl)c2)c(c1CC(O)=O)C(C)(C)C
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| InChI |
InChI=1S/C27H31ClFN3O3/c1-26(2,3)23-19(14-22(33)34)24(27(4,5)6)32(31-23)15-16-7-9-17(10-8-16)25(35)30-18-11-12-21(29)20(28)13-18/h7-13H,14-15H2,1-6H3,(H,30,35)(H,33,34)
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| InChIKey |
VEGXWTWTOMORFV-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