General Information of the Compound
| Compound ID |
CP0113761
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| Compound Name |
2-[4-[[5-(2-chlorophenyl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C30H25ClN2O2
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| Molecular Weight |
480.995
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| Canonical SMILES |
CCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1ccccc1Cl
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| InChI |
InChI=1S/C30H25ClN2O2/c1-2-7-29-32-27-18-22(24-9-5-6-11-26(24)31)16-17-28(27)33(29)19-20-12-14-21(15-13-20)23-8-3-4-10-25(23)30(34)35/h3-6,8-18H,2,7,19H2,1H3,(H,34,35)
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| InChIKey |
AHQBICQSNYNSAM-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