General Information of the Compound
| Compound ID |
CP0559675
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| Compound Name |
(1,1-dioxothian-4-yl)-[(3R)-3-(4-fluorophenyl)sulfonyl-3-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C30H29F4NO6S2
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| Molecular Weight |
639.689
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)C1CCS(=O)(=O)CC1)c1ccc(OCc2ccccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C30H29F4NO6S2/c31-24-7-11-26(12-8-24)43(39,40)29(15-16-35(20-29)28(36)21-13-17-42(37,38)18-14-21)23-5-9-25(10-6-23)41-19-22-3-1-2-4-27(22)30(32,33)34/h1-12,21H,13-20H2/t29-/m0/s1
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| InChIKey |
QJKLMMVJNVLPEB-LJAQVGFWSA-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