General Information of the Compound
| Compound ID |
CP0530468
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| Compound Name |
US8802711, 85
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| Structure |
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| Formula |
C22H21F2N3O
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| Molecular Weight |
381.426
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| Canonical SMILES |
Cc1cc2c(NC(=O)N[C@H]3CC[C@H](C3)c3cccc(F)c3)c(F)ccc2cn1
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| InChI |
InChI=1S/C22H21F2N3O/c1-13-9-19-16(12-25-13)6-8-20(24)21(19)27-22(28)26-18-7-5-15(11-18)14-3-2-4-17(23)10-14/h2-4,6,8-10,12,15,18H,5,7,11H2,1H3,(H2,26,27,28)/t15-,18+/m1/s1
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| InChIKey |
PAFRMBKESKKSIA-QAPCUYQASA-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