General Information of the Compound
| Compound ID |
CP0545265
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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-methoxyphenyl]-1-(3-fluoropropyl)azetidin-3-amine
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| Structure |
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| Formula |
C30H28F4N4O2S
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| Molecular Weight |
584.639
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| Canonical SMILES |
COc1cc(Oc2c(sc3c2ccc2[nH]ncc32)-c2ccc(F)cc2C(C)(F)F)ccc1NC1CN(CCCF)C1
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| InChI |
InChI=1S/C30H28F4N4O2S/c1-30(33,34)23-12-17(32)4-6-20(23)29-27(21-7-9-24-22(14-35-37-24)28(21)41-29)40-19-5-8-25(26(13-19)39-2)36-18-15-38(16-18)11-3-10-31/h4-9,12-14,18,36H,3,10-11,15-16H2,1-2H3,(H,35,37)
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| InChIKey |
WRJNMJDNMBEZFL-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