General Information of the Compound
| Compound ID |
CP0543544
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| Compound Name |
N-[4-[[2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6H-thieno[2,3-e]indazol-3-yl]oxy]-2-fluorophenyl]-1-(3-fluoropropyl)azetidin-3-amine
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| Structure |
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| Formula |
C29H25F5N4OS
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| Molecular Weight |
572.603
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| Canonical SMILES |
CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(NC2CN(CCCF)C2)c(F)c1
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| InChI |
InChI=1S/C29H25F5N4OS/c1-29(33,34)22-11-16(31)3-5-19(22)28-26(20-6-8-24-21(13-35-37-24)27(20)40-28)39-18-4-7-25(23(32)12-18)36-17-14-38(15-17)10-2-9-30/h3-8,11-13,17,36H,2,9-10,14-15H2,1H3,(H,35,37)
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| InChIKey |
MDEVZDLOHZOESS-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