General Information of the Compound
| Compound ID |
CP0911484
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| Compound Name |
6-((6S,8R)-7-(2,2-Difluoroethyl)-6,8-dimethyl-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 |
C25H31F3N6
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| Molecular Weight |
472.559
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@](C)(c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)F
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| InChI |
InChI=1S/C25H31F3N6/c1-16-10-19-20-12-30-32-22(20)6-5-21(19)25(2,34(16)15-24(27)28)23-7-4-17(11-29-23)31-18-13-33(14-18)9-3-8-26/h4-7,11-12,16,18,24,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t16-,25+/m1/s1
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| InChIKey |
RVVNCNQGXBSLJG-CPJLOUKISA-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