General Information of the Compound
| Compound ID |
CP0551291
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| Compound Name |
US8969325, 268
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| Structure |
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| Formula |
C22H21F4N3O3
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| Molecular Weight |
451.42
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)cc(F)cc34)cc12
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| InChI |
InChI=1S/C22H21F4N3O3/c1-29-18-8-14(4-2-12(18)3-5-19(29)30)27-21(31)28-17-9-22(10-23,11-24)32-20-15(17)6-13(25)7-16(20)26/h2,4,6-8,17H,3,5,9-11H2,1H3,(H2,27,28,31)/t17-/m1/s1
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| InChIKey |
WLPJPXXVHUTVQX-QGZVFWFLSA-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