General Information of the Compound
| Compound ID |
CP0409111
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| Compound Name |
1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylphenyl)-4-phenylpyrrolidin-3-amine
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| Structure |
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| Formula |
C21H24N4O2S
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| Molecular Weight |
396.516
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| Canonical SMILES |
Cc1ccccc1NC1CN(CC1c1ccccc1)S(=O)(=O)c1cn(C)cn1
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| InChI |
InChI=1S/C21H24N4O2S/c1-16-8-6-7-11-19(16)23-20-13-25(12-18(20)17-9-4-3-5-10-17)28(26,27)21-14-24(2)15-22-21/h3-11,14-15,18,20,23H,12-13H2,1-2H3
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| InChIKey |
DITQXHOILRJOOM-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