General Information of the Compound
| Compound ID |
CP0454084
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| Compound Name |
(1R,2R)-2-{[4-(4-{[(3-fluorophenyl)carbamoyl]amino}phenyl)phenyl]carbonyl}cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C26H23FN2O4
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| Molecular Weight |
446.478
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| Canonical SMILES |
OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
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| InChI |
InChI=1S/C26H23FN2O4/c27-19-3-1-4-21(15-19)29-26(33)28-20-13-11-17(12-14-20)16-7-9-18(10-8-16)24(30)22-5-2-6-23(22)25(31)32/h1,3-4,7-15,22-23H,2,5-6H2,(H,31,32)(H2,28,29,33)/t22-,23-/m1/s1
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| InChIKey |
OIYCWZRYZVULOR-DHIUTWEWSA-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