General Information of the Compound
| Compound ID |
CP0529864
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| Compound Name |
5-chloro-6-(4-(4-(4-chlorobenzyl)piperazin-1-yl)piperidin-1-yl)-N-(3,4-dichlorobenzyl)nicotinamide
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| Structure |
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| Formula |
C29H31Cl4N5O
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| Molecular Weight |
607.413
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| Canonical SMILES |
Clc1ccc(CN2CCN(CC2)C2CCN(CC2)c2ncc(cc2Cl)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C29H31Cl4N5O/c30-23-4-1-20(2-5-23)19-36-11-13-37(14-12-36)24-7-9-38(10-8-24)28-27(33)16-22(18-34-28)29(39)35-17-21-3-6-25(31)26(32)15-21/h1-6,15-16,18,24H,7-14,17,19H2,(H,35,39)
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| InChIKey |
FEYQUORVTPSCPR-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