General Information of the Compound
| Compound ID |
CP0536944
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| Compound Name |
US9481682, 126
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| Structure |
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| Formula |
C31H30F3N7O2
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| Molecular Weight |
589.622
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(cc(n3)C3CCC3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C31H30F3N7O2/c32-31(33,34)21-14-23(17-2-1-3-17)37-24(15-21)38-30(43)19-6-4-18(5-7-19)26-27-28(35)36-12-13-40(27)29(39-26)20-8-9-22-10-11-25(42)41(22)16-20/h4-7,12-15,17,20,22H,1-3,8-11,16H2,(H2,35,36)(H,37,38,43)/t20-,22+/m1/s1
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| InChIKey |
NJOLPBYFDRWXNZ-IRLDBZIGSA-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