General Information of the Compound
| Compound ID |
CP0555352
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| Compound Name |
US8969325, 184
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| Structure |
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| Formula |
C22H23F3N4O3
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| Molecular Weight |
448.445
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| Canonical SMILES |
CN1Cc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(ccc34)C(F)(F)F)cc2NC1=O
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| InChI |
InChI=1S/C22H23F3N4O3/c1-21(2)10-17(15-7-5-13(22(23,24)25)8-18(15)32-21)27-19(30)26-14-6-4-12-11-29(3)20(31)28-16(12)9-14/h4-9,17H,10-11H2,1-3H3,(H,28,31)(H2,26,27,30)/t17-/m1/s1
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| InChIKey |
ABQYEFUWCLLENZ-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