General Information of the Compound
| Compound ID |
CP0508993
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| Compound Name |
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
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| Structure |
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| Formula |
C27H25ClF2N2O2S
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| Molecular Weight |
515.025
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| Canonical SMILES |
COc1ccc(cc1OC)C(C)(C)c1cnc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H25ClF2N2O2S/c1-27(2,17-8-13-23(33-3)24(14-17)34-4)25-15-31-26(32(25)19-11-9-18(29)10-12-19)35-16-20-21(28)6-5-7-22(20)30/h5-15H,16H2,1-4H3
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| InChIKey |
NGCFQZZMKMQQAL-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