General Information of the Compound
| Compound ID |
CP0542199
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| Compound Name |
CHEMBL3287874
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| Formula |
C31H34N2O5
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| Molecular Weight |
514.622
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| Canonical SMILES |
CCOc1ccc(NC(=O)N2CCOc3cc(ccc23)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)cc1
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| InChI |
InChI=1S/C31H34N2O5/c1-2-37-27-14-12-26(13-15-27)32-31(36)33-17-18-38-29-20-25(11-16-28(29)33)24-9-7-23(8-10-24)22-5-3-21(4-6-22)19-30(34)35/h7-16,20-22H,2-6,17-19H2,1H3,(H,32,36)(H,34,35)/t21-,22-
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| InChIKey |
ZVEHIMDEMHLHHY-HZCBDIJESA-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