General Information of the Compound
| Compound ID |
CP0462065
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| Compound Name |
2-chloro-N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H20ClF3N4O3S
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| Molecular Weight |
512.941
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1CC(NC(=O)c2cccc(c2Cl)C(F)(F)F)C(C1)c1ccccc1
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| InChI |
InChI=1S/C22H20ClF3N4O3S/c1-29-12-19(27-13-29)34(32,33)30-10-16(14-6-3-2-4-7-14)18(11-30)28-21(31)15-8-5-9-17(20(15)23)22(24,25)26/h2-9,12-13,16,18H,10-11H2,1H3,(H,28,31)
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| InChIKey |
SBEYJJRYMTVTII-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