General Information of the Compound
| Compound ID |
CP0504964
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| Compound Name |
5-[2-[5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylethoxy]-1H-indazole
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| Structure |
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| Formula |
C29H29FN4O3S
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| Molecular Weight |
532.641
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| Canonical SMILES |
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc3[nH]ncc3c2)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C29H29FN4O3S/c1-29(2,20-5-12-25(35-3)26(16-20)36-4)27-18-31-28(34(27)22-8-6-21(30)7-9-22)38-14-13-37-23-10-11-24-19(15-23)17-32-33-24/h5-12,15-18H,13-14H2,1-4H3,(H,32,33)
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| InChIKey |
RSZDNBVSRZHLCV-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