General Information of the Compound
| Compound ID |
CP0576564
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| Compound Name |
N-[4-[[2-[4-fluoro-2-(2-fluoropropan-2-yl)phenyl]-6H-thieno[2,3-e]indazol-3-yl]oxy]phenyl]-1-(3-fluoropropyl)azetidin-3-amine
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| Structure |
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| Formula |
C30H29F3N4OS
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| Molecular Weight |
550.65
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| Canonical SMILES |
CC(C)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(NC2CN(CCCF)C2)cc1
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| InChI |
InChI=1S/C30H29F3N4OS/c1-30(2,33)25-14-18(32)4-9-22(25)29-27(23-10-11-26-24(15-34-36-26)28(23)39-29)38-21-7-5-19(6-8-21)35-20-16-37(17-20)13-3-12-31/h4-11,14-15,20,35H,3,12-13,16-17H2,1-2H3,(H,34,36)
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| InChIKey |
SBOSGSUHADDAHF-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