General Information of the Compound
| Compound ID |
CP0966367
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| Compound Name |
6-((6S,8S)-7-(2,2-difluoroethyl)-8-(difluoromethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)-N-(1-(3-fluoropropyl)azetidin-3-yl)pyridin-3-amine
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| Structure |
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| Formula |
C24H27F5N6
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| Molecular Weight |
494.512
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| Canonical SMILES |
FCCCN1CC(Nc2ccc([C@@H]3c4ccc5[nH]ncc5c4C[C@@H](C(F)F)N3CC(F)F)nc2)C1
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| InChI |
InChI=1S/C24H27F5N6/c25-6-1-7-34-11-15(12-34)32-14-2-4-20(30-9-14)23-16-3-5-19-18(10-31-33-19)17(16)8-21(24(28)29)35(23)13-22(26)27/h2-5,9-10,15,21-24,32H,1,6-8,11-13H2,(H,31,33)/t21-,23-/m0/s1
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| InChIKey |
FWWHNGKEZAFESY-GMAHTHKFSA-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