General Information of the Compound
| Compound ID |
CP0569393
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| Compound Name |
3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxy-3-methoxyphenoxy]-2-[4-fluoro-2-(2,2,2-trifluoroethyl)phenyl]-6H-thieno[2,3-e]indazole
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| Structure |
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| Formula |
C30H26F5N3O3S
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| Molecular Weight |
603.613
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| Canonical SMILES |
COc1cc(Oc2c(sc3c4cn[nH]c4ccc23)-c2ccc(F)cc2CC(F)(F)F)ccc1OC1CN(CCCF)C1
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| InChI |
InChI=1S/C30H26F5N3O3S/c1-39-26-12-19(4-8-25(26)40-20-15-38(16-20)10-2-9-31)41-27-22-6-7-24-23(14-36-37-24)28(22)42-29(27)21-5-3-18(32)11-17(21)13-30(33,34)35/h3-8,11-12,14,20H,2,9-10,13,15-16H2,1H3,(H,36,37)
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| InChIKey |
YGDBAKLXZUSVSM-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