General Information of the Compound
| Compound ID |
CP0113763
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| Compound Name |
2-[4-[[6-(4-hydroxyphenyl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C30H26N2O3
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| Molecular Weight |
462.549
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| Canonical SMILES |
CCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1ccc(O)cc1
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| InChI |
InChI=1S/C30H26N2O3/c1-2-5-29-31-27-17-14-23(21-12-15-24(33)16-13-21)18-28(27)32(29)19-20-8-10-22(11-9-20)25-6-3-4-7-26(25)30(34)35/h3-4,6-18,33H,2,5,19H2,1H3,(H,34,35)
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| InChIKey |
ALTXGVLFLJNZDK-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