General Information of the Compound
| Compound ID |
CP0464483
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| Compound Name |
US8614213, 19.116
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| Formula |
C25H25Cl2F3N4O
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| Molecular Weight |
525.402
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| Canonical SMILES |
Cc1cc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n(n1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H25Cl2F3N4O/c1-15-12-23(34(33-15)20-9-5-18(26)6-10-20)31-14-16-2-7-19(8-3-16)32-24(35)21-13-17(25(28,29)30)4-11-22(21)27/h4-6,9-13,16,19,31H,2-3,7-8,14H2,1H3,(H,32,35)/t16-,19-
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| InChIKey |
AMVMQMBZOYHNRT-RUCARUNLSA-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