General Information of the Compound
| Compound ID |
CP0542200
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| Compound Name |
CHEMBL3287888
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| Formula |
C30H33N3O5S
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| Molecular Weight |
547.677
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| Canonical SMILES |
CS(=O)(=O)NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C30H33N3O5S/c1-39(36,37)32-29(34)19-21-7-9-22(10-8-21)23-11-13-24(14-12-23)25-15-16-27-28(20-25)38-18-17-33(27)30(35)31-26-5-3-2-4-6-26/h2-6,11-16,20-22H,7-10,17-19H2,1H3,(H,31,35)(H,32,34)/t21-,22-
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| InChIKey |
PQJJLSFCANBFSI-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: PT02536, Diacylglycerol O-acyltransferase 1
Protein ID: PT02560, Diacylglycerol O-acyltransferase 1