General Information of the Compound
| Compound ID |
CP0574630
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| Compound Name |
3-[4-[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]phenoxy]-2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6H-thieno[2,3-e]indazole
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| Structure |
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| Formula |
C30H24F5N3O2S
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| Molecular Weight |
585.598
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| Canonical SMILES |
CC(F)(F)c1cc(F)ccc1-c1sc2c3cn[nH]c3ccc2c1Oc1ccc(OCCN2CC3C(C2)C3(F)F)cc1
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| InChI |
InChI=1S/C30H24F5N3O2S/c1-29(32,33)22-12-16(31)2-7-19(22)28-26(20-8-9-25-21(13-36-37-25)27(20)41-28)40-18-5-3-17(4-6-18)39-11-10-38-14-23-24(15-38)30(23,34)35/h2-9,12-13,23-24H,10-11,14-15H2,1H3,(H,36,37)
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| InChIKey |
VQUKMZBIQNXSEV-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