General Information of the Compound
| Compound ID |
CP0339298
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| Compound Name |
3-cycloheptyl-2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]benzimidazole-5-carboxylic acid
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| Structure |
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| Formula |
C34H33Cl2N3O4
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| Molecular Weight |
618.561
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCCCCC1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C34H33Cl2N3O4/c1-20(2)32-25(31(38-43-32)30-26(35)10-7-11-27(30)36)19-42-24-15-12-21(13-16-24)33-37-28-17-14-22(34(40)41)18-29(28)39(33)23-8-5-3-4-6-9-23/h7,10-18,20,23H,3-6,8-9,19H2,1-2H3,(H,40,41)
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| InChIKey |
JWXCEJIDJMTQBG-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