General Information of the Compound
| Compound ID |
CP0545402
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| Compound Name |
2-[2-(1,1-difluoroethyl)-4,5-difluorophenyl]-3-[3-fluoro-4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6H-thieno[2,3-e]indazole
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| Structure |
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| Formula |
C29H23F6N3O2S
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| Molecular Weight |
591.577
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| Canonical SMILES |
CC(F)(F)c1cc(F)c(F)cc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(OC2CN(CCCF)C2)c(F)c1
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| InChI |
InChI=1S/C29H23F6N3O2S/c1-29(34,35)20-11-22(32)21(31)10-18(20)28-26(17-4-5-24-19(12-36-37-24)27(17)41-28)40-15-3-6-25(23(33)9-15)39-16-13-38(14-16)8-2-7-30/h3-6,9-12,16H,2,7-8,13-14H2,1H3,(H,36,37)
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| InChIKey |
GFXSKTFOYYDPNZ-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2