General Information of the Compound
| Compound ID |
CP0568297
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| Compound Name |
2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-3-[3-fluoro-4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6H-thieno[2,3-e]indazole
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| Structure |
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| Formula |
C29H24F5N3O2S
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| Molecular Weight |
573.587
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| Canonical SMILES |
CC(F)(F)c1cc(F)ccc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(OC2CN(CCCF)C2)c(F)c1
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| InChI |
InChI=1S/C29H24F5N3O2S/c1-29(33,34)22-11-16(31)3-5-19(22)28-26(20-6-7-24-21(13-35-36-24)27(20)40-28)39-17-4-8-25(23(32)12-17)38-18-14-37(15-18)10-2-9-30/h3-8,11-13,18H,2,9-10,14-15H2,1H3,(H,35,36)
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| InChIKey |
MWKNAMAVUZDWCM-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