General Information of the Compound
| Compound ID |
CP0535411
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| Compound Name |
(1R,2R)-2-[(4-{4-[(2H-1,3-benzodioxol-5-ylcarbamoyl)amino]phenyl}phenyl)carbonyl]cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C27H24N2O6
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| Molecular Weight |
472.497
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| Canonical SMILES |
OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc3OCOc3c2)cc1
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| InChI |
InChI=1S/C27H24N2O6/c30-25(21-2-1-3-22(21)26(31)32)18-6-4-16(5-7-18)17-8-10-19(11-9-17)28-27(33)29-20-12-13-23-24(14-20)35-15-34-23/h4-14,21-22H,1-3,15H2,(H,31,32)(H2,28,29,33)/t21-,22-/m1/s1
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| InChIKey |
RZNCBRKGQQQKBQ-FGZHOGPDSA-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