General Information of the Compound
| Compound ID |
CP0508250
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| Compound Name |
5-chloro-6-(1'-(4-chlorobenzyl)-4,4'-bipiperidin-1-yl)-N-(3,4-dichlorobenzyl)nicotinamide
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| Structure |
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| Formula |
C30H32Cl4N4O
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| Molecular Weight |
606.425
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| Canonical SMILES |
Clc1ccc(CN2CCC(CC2)C2CCN(CC2)c2ncc(cc2Cl)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C30H32Cl4N4O/c31-25-4-1-20(2-5-25)19-37-11-7-22(8-12-37)23-9-13-38(14-10-23)29-28(34)16-24(18-35-29)30(39)36-17-21-3-6-26(32)27(33)15-21/h1-6,15-16,18,22-23H,7-14,17,19H2,(H,36,39)
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| InChIKey |
NIBPZSMLIVDUPL-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