General Information of the Compound
| Compound ID |
CP0477503
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| Compound Name |
1-[2-[6-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-2-yl]acetyl]piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C30H26F6N2O6S
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| Molecular Weight |
656.601
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| Canonical SMILES |
OC(=O)C1CCN(CC1)C(=O)CC1Cc2ccc(cc2N1S(=O)(=O)c1cccc(c1)C(F)(F)F)-c1cc(F)cc(OC(F)F)c1
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| InChI |
InChI=1S/C30H26F6N2O6S/c31-22-10-20(12-24(15-22)44-29(32)33)18-4-5-19-11-23(16-27(39)37-8-6-17(7-9-37)28(40)41)38(26(19)13-18)45(42,43)25-3-1-2-21(14-25)30(34,35)36/h1-5,10,12-15,17,23,29H,6-9,11,16H2,(H,40,41)
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| InChIKey |
KCEHKVOSPNVXNO-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