General Information of the Compound
| Compound ID |
CP0409757
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| Compound Name |
US8722896, (+/-)-1-Benzyl-N-(3-chloro-4,5- dimethoxy-benzyl)-N- isobutylpyrrolidine-3- carboxamide
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| Structure |
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| Formula |
C25H33ClN2O3
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| Molecular Weight |
445.003
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| Canonical SMILES |
COc1cc(CN(CC(C)C)C(=O)C2CCN(Cc3ccccc3)C2)cc(Cl)c1OC
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| InChI |
InChI=1S/C25H33ClN2O3/c1-18(2)14-28(16-20-12-22(26)24(31-4)23(13-20)30-3)25(29)21-10-11-27(17-21)15-19-8-6-5-7-9-19/h5-9,12-13,18,21H,10-11,14-17H2,1-4H3
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| InChIKey |
CVGYZQRJTBNIEG-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