General Information of the Compound
| Compound ID |
CP0508992
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| Compound Name |
1-[4-[2-[5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylethoxy]phenyl]-1,2,4-triazole
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| Structure |
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| Formula |
C30H30FN5O3S
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| Molecular Weight |
559.667
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| Canonical SMILES |
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2cncn2)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C30H30FN5O3S/c1-30(2,21-5-14-26(37-3)27(17-21)38-4)28-18-33-29(36(28)24-8-6-22(31)7-9-24)40-16-15-39-25-12-10-23(11-13-25)35-20-32-19-34-35/h5-14,17-20H,15-16H2,1-4H3
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| InChIKey |
LVLNGDKAGPDLKS-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