General Information of the Compound
| Compound ID |
CP0545264
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| Compound Name |
3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-2-[4-fluoro-2-(1,1,1-trifluoropropan-2-yl)phenyl]-6H-thieno[2,3-e]indazole
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| Structure |
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| Formula |
C30H26F5N3O2S
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| Molecular Weight |
587.614
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| Canonical SMILES |
CC(c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(OC2CN(CCCF)C2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H26F5N3O2S/c1-17(30(33,34)35)24-13-18(32)3-8-22(24)29-27(23-9-10-26-25(14-36-37-26)28(23)41-29)40-20-6-4-19(5-7-20)39-21-15-38(16-21)12-2-11-31/h3-10,13-14,17,21H,2,11-12,15-16H2,1H3,(H,36,37)
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| InChIKey |
TZULFWFJFNTWPO-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