General Information of the Compound
| Compound ID |
CP0066395
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| Compound Name |
2-[4-[[4-methyl-6-(2-phenylethylcarbamoyl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C34H33N3O3
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| Molecular Weight |
531.656
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| Canonical SMILES |
CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C34H33N3O3/c1-3-9-31-36-32-23(2)20-27(33(38)35-19-18-24-10-5-4-6-11-24)21-30(32)37(31)22-25-14-16-26(17-15-25)28-12-7-8-13-29(28)34(39)40/h4-8,10-17,20-21H,3,9,18-19,22H2,1-2H3,(H,35,38)(H,39,40)
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| InChIKey |
RLIIGJWNLLPVGV-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