General Information of the Compound
| Compound ID |
CP0489844
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| Compound Name |
2-[4-[6-[(3,4-dimethylphenyl)carbamoyl]-1H-benzimidazol-2-yl]-3,5-dimethylphenoxy]acetic acid
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| Structure |
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| Formula |
C26H25N3O4
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| Molecular Weight |
443.503
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(C)cc(OCC(O)=O)cc2C)cc1C
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| InChI |
InChI=1S/C26H25N3O4/c1-14-5-7-19(9-15(14)2)27-26(32)18-6-8-21-22(12-18)29-25(28-21)24-16(3)10-20(11-17(24)4)33-13-23(30)31/h5-12H,13H2,1-4H3,(H,27,32)(H,28,29)(H,30,31)
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| InChIKey |
SNTCIFKVANLNAU-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