General Information of the Compound
| Compound ID |
CP0437662
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| Compound Name |
2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-3-pentan-3-ylbenzimidazole-5-carboxylic acid
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| Structure |
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| Formula |
C32H30Cl3N3O4
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| Molecular Weight |
626.968
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| Canonical SMILES |
CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1Cl
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| InChI |
InChI=1S/C32H30Cl3N3O4/c1-5-19(6-2)38-27-14-18(32(39)40)10-13-26(27)36-31(38)21-12-11-20(15-25(21)35)41-16-22-29(37-42-30(22)17(3)4)28-23(33)8-7-9-24(28)34/h7-15,17,19H,5-6,16H2,1-4H3,(H,39,40)
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| InChIKey |
HECIIFYWSYJLEI-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