General Information of the Compound
| Compound ID |
CP0534572
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| Compound Name |
4-(2,4-dichlorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
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| Structure |
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| Formula |
C26H26Cl2N2O
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| Molecular Weight |
453.413
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| Canonical SMILES |
Clc1ccc(c(Cl)c1)-c1ccc(cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1
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| InChI |
InChI=1S/C26H26Cl2N2O/c27-23-11-12-24(25(28)17-23)21-7-9-22(10-8-21)26(31)29-14-13-19-3-5-20(6-4-19)18-30-15-1-2-16-30/h3-12,17H,1-2,13-16,18H2,(H,29,31)
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| InChIKey |
ANMQAQFNKUNVSE-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