General Information of the Compound
| Compound ID |
CP0496945
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| Compound Name |
1-(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)piperazin-1-yl)pyridin-3-yl)-N-(3,4-dichlorobenzyl)-N-methylmethanamine
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| Structure |
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| Formula |
C30H35Cl4N5
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| Molecular Weight |
607.457
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| Canonical SMILES |
CN(Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N2CCN(CC2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C30H35Cl4N5/c1-36(19-23-4-7-27(32)28(33)16-23)20-24-17-29(34)30(35-18-24)39-14-12-38(13-15-39)26-8-10-37(11-9-26)21-22-2-5-25(31)6-3-22/h2-7,16-18,26H,8-15,19-21H2,1H3
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| InChIKey |
DFVORCVGALOMLM-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