General Information of the Compound
| Compound ID |
CP0526638
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| Compound Name |
(1R,2R)-2-{[4-(4-{[(4-cyanophenyl)carbamoyl]amino}phenyl)phenyl]carbonyl}cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C27H23N3O4
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| Molecular Weight |
453.498
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| Canonical SMILES |
OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
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| InChI |
InChI=1S/C27H23N3O4/c28-16-17-4-12-21(13-5-17)29-27(34)30-22-14-10-19(11-15-22)18-6-8-20(9-7-18)25(31)23-2-1-3-24(23)26(32)33/h4-15,23-24H,1-3H2,(H,32,33)(H2,29,30,34)/t23-,24-/m1/s1
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| InChIKey |
FIXXEIAIMXXMQZ-DNQXCXABSA-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