General Information of the Compound
| Compound ID |
CP0468275
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| Compound Name |
2-[4-[(2-pentylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C26H26N2O2
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| Molecular Weight |
398.506
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| Canonical SMILES |
CCCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
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| InChI |
InChI=1S/C26H26N2O2/c1-2-3-4-13-25-27-23-11-7-8-12-24(23)28(25)18-19-14-16-20(17-15-19)21-9-5-6-10-22(21)26(29)30/h5-12,14-17H,2-4,13,18H2,1H3,(H,29,30)
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| InChIKey |
FOFRDWFVHUCTTH-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