General Information of the Compound
| Compound ID |
CP0579605
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| Compound Name |
2-[1-[2-[4-[[2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6H-thieno[2,3-e]indazol-3-yl]oxy]phenoxy]ethyl]azetidin-3-yl]acetonitrile
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| Structure |
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| Formula |
C30H25F3N4O2S
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| Molecular Weight |
562.617
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| Canonical SMILES |
CC(F)(F)c1cc(F)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(OCCN2CC(CC#N)C2)cc1
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| InChI |
InChI=1S/C30H25F3N4O2S/c1-30(32,33)25-14-19(31)2-7-22(25)29-27(23-8-9-26-24(15-35-36-26)28(23)40-29)39-21-5-3-20(4-6-21)38-13-12-37-16-18(17-37)10-11-34/h2-9,14-15,18H,10,12-13,16-17H2,1H3,(H,35,36)
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| InChIKey |
ZSSGAQNREJBUPZ-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