General Information of the Compound
| Compound ID |
CP0400747
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| Compound Name |
CHEMBL3287871
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| Formula |
C29H31NO5S
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| Molecular Weight |
505.636
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C29H31NO5S/c31-29(32)18-21-6-8-23(9-7-21)24-10-12-25(13-11-24)26-14-15-27-28(19-26)35-17-16-30(27)36(33,34)20-22-4-2-1-3-5-22/h1-5,10-15,19,21,23H,6-9,16-18,20H2,(H,31,32)/t21-,23-
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| InChIKey |
CGSGVAJAZHPRKW-AFARHQOCSA-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