General Information of the Compound
| Compound ID |
CP0528297
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| Compound Name |
(1R,2R)-2-{[4-(3-fluoro-4-{[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino}phenyl)phenyl]carbonyl}cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C27H20F4N2O4S
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| Molecular Weight |
544.526
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| Canonical SMILES |
OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(OC(F)(F)F)cc3s2)c(F)c1
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| InChI |
InChI=1S/C27H20F4N2O4S/c28-20-12-16(14-4-6-15(7-5-14)24(34)18-2-1-3-19(18)25(35)36)8-10-21(20)32-26-33-22-11-9-17(13-23(22)38-26)37-27(29,30)31/h4-13,18-19H,1-3H2,(H,32,33)(H,35,36)/t18-,19-/m1/s1
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| InChIKey |
DMGWDGVBODDSLT-RTBURBONSA-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
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1
Protein ID: PT02560, Diacylglycerol O-acyltransferase 1