General Information of the Compound
| Compound ID |
CP0571259
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| Compound Name |
1-(3-fluoropropyl)-N-[4-[[2-[4-fluoro-2-(2,2,2-trifluoroethyl)phenyl]-6H-thieno[2,3-e]indazol-3-yl]oxy]phenyl]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 |
FCCCN1CC(C1)Nc1ccc(Oc2c(sc3c4cn[nH]c4ccc23)-c2ccc(F)cc2CC(F)(F)F)cc1
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| InChI |
InChI=1S/C29H25F5N4OS/c30-10-1-11-38-15-20(16-38)36-19-3-5-21(6-4-19)39-26-23-8-9-25-24(14-35-37-25)27(23)40-28(26)22-7-2-18(31)12-17(22)13-29(32,33)34/h2-9,12,14,20,36H,1,10-11,13,15-16H2,(H,35,37)
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| InChIKey |
ZKZAPGUUDGKQAJ-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