General Information of the Compound
| Compound ID |
CP0396937
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| Compound Name |
N-[3-chloro-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]phenyl]-2-methyl-2-phenylpropanamide
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| Structure |
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| Formula |
C27H26ClF3N4O2
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| Molecular Weight |
530.978
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| Canonical SMILES |
CC(C)(C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ncccc2C(F)(F)F)c(Cl)c1)c1ccccc1
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| InChI |
InChI=1S/C27H26ClF3N4O2/c1-26(2,18-7-4-3-5-8-18)25(37)33-19-10-11-22(21(28)17-19)34-13-15-35(16-14-34)24(36)23-20(27(29,30)31)9-6-12-32-23/h3-12,17H,13-16H2,1-2H3,(H,33,37)
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| InChIKey |
FDAFNRMXIWVUJI-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