General Information of the Compound
| Compound ID |
CP0461832
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| Compound Name |
2-[4-[6-[(3,4-dimethylphenyl)carbamoyl]-1H-benzimidazol-2-yl]-3,5-dimethylanilino]acetic acid
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| Structure |
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| Formula |
C26H26N4O3
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| Molecular Weight |
442.519
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(C)cc(NCC(O)=O)cc2C)cc1C
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| InChI |
InChI=1S/C26H26N4O3/c1-14-5-7-19(9-15(14)2)28-26(33)18-6-8-21-22(12-18)30-25(29-21)24-16(3)10-20(11-17(24)4)27-13-23(31)32/h5-12,27H,13H2,1-4H3,(H,28,33)(H,29,30)(H,31,32)
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| InChIKey |
QMGIRPKEAZNXHA-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