General Information of the Compound
| Compound ID |
CP0961163
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-2-methoxy-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H22F5N3O3
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| Molecular Weight |
531.481
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| Canonical SMILES |
COc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C27H22F5N3O3/c1-37-24-6-3-17(27(30,31)32)13-20(24)26(36)34-22-12-16(15-33)2-5-23(22)35-10-8-19(9-11-35)38-25-7-4-18(28)14-21(25)29/h2-7,12-14,19H,8-11H2,1H3,(H,34,36)
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| InChIKey |
BEUBRPNYPDIGOF-UHFFFAOYSA-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