General Information of the Compound
| Compound ID |
CP0536763
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| Compound Name |
1-[[5-[2-ethyl-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]pyridin-2-yl]oxymethyl]cyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C28H29N3O5
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| Molecular Weight |
487.556
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| Canonical SMILES |
CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OCC2(CCC2)C(O)=O)nc1
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| InChI |
InChI=1S/C28H29N3O5/c1-2-22-17-31(27(34)30-21-7-4-3-5-8-21)23-11-9-19(15-24(23)36-22)20-10-12-25(29-16-20)35-18-28(26(32)33)13-6-14-28/h3-5,7-12,15-16,22H,2,6,13-14,17-18H2,1H3,(H,30,34)(H,32,33)
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| InChIKey |
YARYTHZZFFJHJX-UHFFFAOYSA-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: PT02560, Diacylglycerol O-acyltransferase 1
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1