General Information of the Compound
| Compound ID |
CP0400023
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| Compound Name |
N-[2-(2-methoxyphenyl)ethyl]-4-[[3-(2-methylphenyl)piperidin-1-yl]methyl]-N-pyrrolidin-3-ylbenzamide
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| Structure |
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| Formula |
C33H41N3O2
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| Molecular Weight |
511.71
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| Canonical SMILES |
COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CCCC(C2)c2ccccc2C)cc1
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| InChI |
InChI=1S/C33H41N3O2/c1-25-8-3-5-11-31(25)29-10-7-20-35(24-29)23-26-13-15-28(16-14-26)33(37)36(30-17-19-34-22-30)21-18-27-9-4-6-12-32(27)38-2/h3-6,8-9,11-16,29-30,34H,7,10,17-24H2,1-2H3
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| InChIKey |
DASUNKDHPZBVDL-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