General Information of the Compound
| Compound ID |
CP0545266
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| Compound Name |
2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-6H-thieno[2,3-e]indazole
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| Structure |
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| Formula |
C29H25F4N3O2S
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| Molecular Weight |
555.597
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| Canonical SMILES |
CC(F)(F)c1cc(F)ccc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1
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| InChI |
InChI=1S/C29H25F4N3O2S/c1-29(32,33)24-12-18(31)2-7-21(24)28-26(22-8-9-25-23(14-34-35-25)27(22)39-28)38-20-5-3-19(4-6-20)37-11-10-36-15-17(13-30)16-36/h2-9,12,14,17H,10-11,13,15-16H2,1H3,(H,34,35)
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| InChIKey |
CUBLWUFXJONSLJ-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