General Information of the Compound
| Compound ID |
CP0443584
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| Compound Name |
3-[4-[6-[(4-tert-butylphenyl)carbamoyl]-1H-benzimidazol-2-yl]-3,5-dimethylphenyl]propanoic acid
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| Structure |
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| Formula |
C29H31N3O3
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| Molecular Weight |
469.585
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| Canonical SMILES |
Cc1cc(CCC(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C29H31N3O3/c1-17-14-19(6-13-25(33)34)15-18(2)26(17)27-31-23-12-7-20(16-24(23)32-27)28(35)30-22-10-8-21(9-11-22)29(3,4)5/h7-12,14-16H,6,13H2,1-5H3,(H,30,35)(H,31,32)(H,33,34)
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| InChIKey |
LDGXQPOCIGRAMC-UHFFFAOYSA-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