General Information of the Compound
| Compound ID |
CP0257691
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| Compound Name |
N-(3,4-dichlorophenyl)-4-[[(3R)-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C26H34Cl2N4O
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| Molecular Weight |
489.491
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| Canonical SMILES |
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCCc4ccccc4)C3)CC2)cc1Cl
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| InChI |
InChI=1S/C26H34Cl2N4O/c27-24-11-10-23(18-25(24)28)29-26(33)32-16-14-31(15-17-32)20-22-9-5-13-30(19-22)12-4-8-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,22H,4-5,8-9,12-17,19-20H2,(H,29,33)/t22-/m1/s1
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| InChIKey |
LHNFCNUXICTTPA-JOCHJYFZSA-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