General Information of the Compound
| Compound ID |
CP0529918
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| Compound Name |
3-chloro-4-(4-(1-(4-chlorobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(3,4-dichlorobenzyl)benzamide
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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)N2CCN(CC2)c2ccc(cc2Cl)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C30H32Cl4N4O/c31-24-5-1-21(2-6-24)20-36-11-9-25(10-12-36)37-13-15-38(16-14-37)29-8-4-23(18-28(29)34)30(39)35-19-22-3-7-26(32)27(33)17-22/h1-8,17-18,25H,9-16,19-20H2,(H,35,39)
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| InChIKey |
JSGFOPNBVQAGAL-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