General Information of the Compound
| Compound ID |
CP0458505
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| Compound Name |
(1S,2S)-2-[[5-[2-ethyl-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]pyridin-2-yl]oxymethyl]cyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C27H27N3O5
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| Molecular Weight |
473.529
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| Canonical SMILES |
CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OC[C@H]2C[C@@H]2C(O)=O)nc1
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| InChI |
InChI=1S/C27H27N3O5/c1-2-21-15-30(27(33)29-20-6-4-3-5-7-20)23-10-8-17(13-24(23)35-21)18-9-11-25(28-14-18)34-16-19-12-22(19)26(31)32/h3-11,13-14,19,21-22H,2,12,15-16H2,1H3,(H,29,33)(H,31,32)/t19-,21?,22+/m1/s1
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| InChIKey |
DSCRPKKTYZZEQD-QOMKKIOMSA-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