General Information of the Compound
| Compound ID |
CP0414946
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| Compound Name |
N-butyl-5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C26H35Cl2N5O
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| Molecular Weight |
504.506
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| Canonical SMILES |
CCCCNC(=O)c1cnc(N2CCN(CC2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C26H35Cl2N5O/c1-2-3-10-29-26(34)21-17-24(28)25(30-18-21)33-15-13-32(14-16-33)23-8-11-31(12-9-23)19-20-4-6-22(27)7-5-20/h4-7,17-18,23H,2-3,8-16,19H2,1H3,(H,29,34)
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| InChIKey |
UMFHHXDLQZXPTI-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