General Information of the Compound
| Compound ID |
CP0198693
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| Compound Name |
5-(benzenesulfonyl)-N-[1-[(2S)-1-(cyclohexylmethyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C30H38F3N3O5S2
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| Molecular Weight |
641.778
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1CC1CCCCC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C30H38F3N3O5S2/c31-30(32,33)26-14-13-25(42(38,39)24-10-5-2-6-11-24)20-28(26)43(40,41)34-23-15-18-35(19-16-23)29(37)27-12-7-17-36(27)21-22-8-3-1-4-9-22/h2,5-6,10-11,13-14,20,22-23,27,34H,1,3-4,7-9,12,15-19,21H2/t27-/m0/s1
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| InChIKey |
QWHSQMJRLKQTCQ-MHZLTWQESA-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