General Information of the Compound
| Compound ID |
CP0547760
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| Compound Name |
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide
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| Structure |
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| Formula |
C22H28N2O3
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| Molecular Weight |
368.477
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| Canonical SMILES |
CCC(C(=O)Nc1ccccc1N1CCCC1)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C22H28N2O3/c1-4-17(16-11-12-20(26-2)21(15-16)27-3)22(25)23-18-9-5-6-10-19(18)24-13-7-8-14-24/h5-6,9-12,15,17H,4,7-8,13-14H2,1-3H3,(H,23,25)
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| InChIKey |
JEGMZSGOJYGENU-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