General Information of the Compound
| Compound ID |
CP0356362
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| Compound Name |
2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-3-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
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| Structure |
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| Formula |
C34H26Cl2FN3O4
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| Molecular Weight |
630.503
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1Cc1ccc(F)cc1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C34H26Cl2FN3O4/c1-19(2)32-25(31(39-44-32)30-26(35)4-3-5-27(30)36)18-43-24-13-8-21(9-14-24)33-38-28-15-10-22(34(41)42)16-29(28)40(33)17-20-6-11-23(37)12-7-20/h3-16,19H,17-18H2,1-2H3,(H,41,42)
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| InChIKey |
IRBXVJIPKSXGEK-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