General Information of the Compound
| Compound ID |
CP0497890
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| Compound Name |
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide
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| Structure |
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| Formula |
C21H26N2O
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| Molecular Weight |
322.452
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| Canonical SMILES |
CCC(C(=O)Nc1ccccc1N1CCCC1)c1cccc(C)c1
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| InChI |
InChI=1S/C21H26N2O/c1-3-18(17-10-8-9-16(2)15-17)21(24)22-19-11-4-5-12-20(19)23-13-6-7-14-23/h4-5,8-12,15,18H,3,6-7,13-14H2,1-2H3,(H,22,24)
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| InChIKey |
JUTYJORVBWXGJA-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