General Information of the Compound
| Compound ID |
CP0503605
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| Compound Name |
US9216968, 112
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| Structure |
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| Formula |
C25H19ClF4N4O3
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| Molecular Weight |
534.897
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3cc(F)ccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C25H19ClF4N4O3/c1-12-18(26)4-3-5-19(12)33-24(36)16-9-14(10-20-22(16)34-21(32-20)11-37-2)31-23(35)15-8-13(27)6-7-17(15)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)
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| InChIKey |
HAZVPMQDVYPELX-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