General Information of the Compound
| Compound ID |
CP0911487
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| Compound Name |
2,2-Difluoro-3-((6S,8R)-6-(5-((1-(3-fluoropropyl)azetidin-3-yl)amino)pyridin-2-yl)-8-methyl-3,6,8,9-tetrahydro-7H-pyrazolo[4,3-f]isoquinolin-7-yl)propan-1-ol
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| Structure |
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| Formula |
C25H31F3N6O
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| Molecular Weight |
488.558
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)CO
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| InChI |
InChI=1S/C25H31F3N6O/c1-16-9-20-19(4-6-22-21(20)11-30-32-22)24(34(16)14-25(27,28)15-35)23-5-3-17(10-29-23)31-18-12-33(13-18)8-2-7-26/h3-6,10-11,16,18,24,31,35H,2,7-9,12-15H2,1H3,(H,30,32)/t16-,24+/m1/s1
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| InChIKey |
MKAPFCBLWCECBI-GYCJOSAFSA-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