General Information of the Compound
| Compound ID |
CP0475153
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| Compound Name |
N-[5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridin-3-yl]-2-(3,4-dichlorophenyl)acetamide
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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(CN2CCC(CC2)N2CCN(CC2)c2ncc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2Cl)cc1
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| InChI |
InChI=1S/C29H31Cl4N5O/c30-22-4-1-20(2-5-22)19-36-9-7-24(8-10-36)37-11-13-38(14-12-37)29-27(33)17-23(18-34-29)35-28(39)16-21-3-6-25(31)26(32)15-21/h1-6,15,17-18,24H,7-14,16,19H2,(H,35,39)
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| InChIKey |
LWUVOPFFGHOXHU-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