General Information of the Compound
| Compound ID |
CP0506803
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| Compound Name |
US8969325, 326
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| Structure |
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| Formula |
C22H22F3N3O3
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| Molecular Weight |
433.43
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3C[C@@](C)(Oc4ccccc34)C(F)(F)F)cc12
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| InChI |
InChI=1S/C22H22F3N3O3/c1-21(22(23,24)25)12-16(15-5-3-4-6-18(15)31-21)27-20(30)26-14-9-7-13-8-10-19(29)28(2)17(13)11-14/h3-7,9,11,16H,8,10,12H2,1-2H3,(H2,26,27,30)/t16-,21-/m1/s1
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| InChIKey |
FYGWQERVLHGYQK-IIBYNOLFSA-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