General Information of the Compound
| Compound ID |
CP0389394
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| Compound Name |
CHEMBL3287863
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| Formula |
C30H30N2O5
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| Molecular Weight |
498.579
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| Canonical SMILES |
CC1Oc2cc(ccc2N(C(=O)Nc2ccccc2)C1=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
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| InChI |
InChI=1S/C30H30N2O5/c1-19-29(35)32(30(36)31-25-5-3-2-4-6-25)26-16-15-24(18-27(26)37-19)23-13-11-22(12-14-23)21-9-7-20(8-10-21)17-28(33)34/h2-6,11-16,18-21H,7-10,17H2,1H3,(H,31,36)(H,33,34)/t19?,20-,21-
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| InChIKey |
FECOMPJHIVPWHW-XPUGBJAQSA-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