General Information of the Compound
| Compound ID |
CP0232638
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| Compound Name |
2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-3-heptan-4-ylbenzimidazole-5-carboxylic acid
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| Structure |
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| Formula |
C34H35Cl2N3O4
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| Molecular Weight |
620.577
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| Canonical SMILES |
CCCC(CCC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1
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| InChI |
InChI=1S/C34H35Cl2N3O4/c1-5-8-23(9-6-2)39-29-18-22(34(40)41)14-17-28(29)37-33(39)21-12-15-24(16-13-21)42-19-25-31(38-43-32(25)20(3)4)30-26(35)10-7-11-27(30)36/h7,10-18,20,23H,5-6,8-9,19H2,1-4H3,(H,40,41)
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| InChIKey |
PIBDDGSPCWTTPC-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