General Information of the Compound
| Compound ID |
CP0458504
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| Compound Name |
(1R,2R)-2-[4-[4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]benzoyl]cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C28H26N2O5
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| Molecular Weight |
470.525
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| Canonical SMILES |
OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C28H26N2O5/c31-26(22-7-4-8-23(22)27(32)33)19-11-9-18(10-12-19)20-13-14-24-25(17-20)35-16-15-30(24)28(34)29-21-5-2-1-3-6-21/h1-3,5-6,9-14,17,22-23H,4,7-8,15-16H2,(H,29,34)(H,32,33)/t22-,23-/m1/s1
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| InChIKey |
SADJVSZBLBNJOK-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