General Information of the Compound
| Compound ID |
CP0389401
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| Compound Name |
CHEMBL3287869
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| Formula |
C30H31NO4
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| Molecular Weight |
469.581
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C30H31NO4/c32-29(18-21-4-2-1-3-5-21)31-16-17-35-28-20-26(14-15-27(28)31)25-12-10-24(11-13-25)23-8-6-22(7-9-23)19-30(33)34/h1-5,10-15,20,22-23H,6-9,16-19H2,(H,33,34)/t22-,23-
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| InChIKey |
YJIYGWCDPSNCBF-YHBQERECSA-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