General Information of the Compound
| Compound ID |
CP0169868
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| Compound Name |
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C21H28ClF3N4O
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| Molecular Weight |
444.929
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl
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| InChI |
InChI=1S/C21H28ClF3N4O/c22-19-12-16(3-6-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1
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| InChIKey |
OPWYDQPIOWOAOA-HNNXBMFYSA-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