General Information of the Compound
| Compound ID |
CP0898623
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| Compound Name |
2-fluoro-N-(1-(3-fluoropropyl)azetidin-3-yl)-6-((6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-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 |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)c(F)n2)N1CC(F)(F)F
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| InChI |
InChI=1S/C24H27F5N6/c1-14-9-17-16(3-4-19-18(17)10-30-33-19)22(35(14)13-24(27,28)29)20-5-6-21(23(26)32-20)31-15-11-34(12-15)8-2-7-25/h3-6,10,14-15,22,31H,2,7-9,11-13H2,1H3,(H,30,33)/t14-,22+/m1/s1
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| InChIKey |
CRBIBFLRQNHOTI-PEBXRYMYSA-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