General Information of the Compound
| Compound ID |
CP0499734
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| Compound Name |
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide
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| Structure |
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| Formula |
C20H22Cl2N2O
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| Molecular Weight |
377.315
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| Canonical SMILES |
CCC(C(=O)Nc1ccccc1N1CCCC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C20H22Cl2N2O/c1-2-15(14-9-10-16(21)17(22)13-14)20(25)23-18-7-3-4-8-19(18)24-11-5-6-12-24/h3-4,7-10,13,15H,2,5-6,11-12H2,1H3,(H,23,25)
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| InChIKey |
JTFHRROLCDITAW-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