General Information of the Compound
| Compound ID |
CP0547900
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| Compound Name |
3-[3,5-dimethyl-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanoic acid
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| Structure |
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| Formula |
C30H28N4O3
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| Molecular Weight |
492.579
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| Canonical SMILES |
Cc1cc(CC(C)(C)C(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
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| InChI |
InChI=1S/C30H28N4O3/c1-17-13-19(16-30(3,4)29(36)37)14-18(2)26(17)27-32-23-11-9-21(15-24(23)33-27)28(35)34-25-12-10-20-7-5-6-8-22(20)31-25/h5-15H,16H2,1-4H3,(H,32,33)(H,36,37)(H,31,34,35)
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| InChIKey |
BKNMGUWSBQUQAE-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