General Information of the Compound
| Compound ID |
CP0458502
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| Compound Name |
CHEMBL3287867
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| Formula |
C31H34N2O4
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| Molecular Weight |
498.623
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| Canonical SMILES |
CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
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| InChI |
InChI=1S/C31H34N2O4/c1-2-27-20-33(31(36)32-26-6-4-3-5-7-26)28-17-16-25(19-29(28)37-27)24-14-12-23(13-15-24)22-10-8-21(9-11-22)18-30(34)35/h3-7,12-17,19,21-22,27H,2,8-11,18,20H2,1H3,(H,32,36)(H,34,35)/t21-,22-,27?
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| InChIKey |
CKVMEIJEGPQYJI-INCBEPGWSA-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