General Information of the Compound
| Compound ID |
CP0469959
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| Compound Name |
US8969325, 296
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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]3CC(CF)(CF)Oc4cc(F)ccc34)cc12
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| InChI |
InChI=1S/C22H22F3N3O3/c1-28-18-9-15(5-2-13(18)3-7-20(28)29)26-21(30)27-17-10-22(11-23,12-24)31-19-8-14(25)4-6-16(17)19/h2,4-6,8-9,17H,3,7,10-12H2,1H3,(H2,26,27,30)/t17-/m1/s1
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| InChIKey |
IFJVAWLVLMTWNX-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