General Information of the Compound
| Compound ID |
CP0436543
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| Compound Name |
2-[4-[[6-(3-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 |
CCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C30H25ClN2O2/c1-2-6-29-32-27-16-15-23(22-7-5-8-24(31)17-22)18-28(27)33(29)19-20-11-13-21(14-12-20)25-9-3-4-10-26(25)30(34)35/h3-5,7-18H,2,6,19H2,1H3,(H,34,35)
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| InChIKey |
TWIVKWZEQFFZJU-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