General Information of the Compound
| Compound ID |
CP0569178
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| Compound Name |
2-[4-fluoro-2-(2-fluoropropan-2-yl)phenyl]-3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxy-3-methoxyphenoxy]-6H-thieno[2,3-e]indazole
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| Structure |
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| Formula |
C31H30F3N3O3S
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| Molecular Weight |
581.66
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| Canonical SMILES |
COc1cc(Oc2c(sc3c4cn[nH]c4ccc23)-c2ccc(F)cc2C(C)(C)F)ccc1OC1CN(CCCF)C1
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| InChI |
InChI=1S/C31H30F3N3O3S/c1-31(2,34)24-13-18(33)5-7-21(24)30-28(22-8-9-25-23(15-35-36-25)29(22)41-30)40-19-6-10-26(27(14-19)38-3)39-20-16-37(17-20)12-4-11-32/h5-10,13-15,20H,4,11-12,16-17H2,1-3H3,(H,35,36)
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| InChIKey |
VCVOFEJTZMKBIL-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