General Information of the Compound
| Compound ID |
CP0942945
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| Compound Name |
(6S,8R)-6-(5-((1-(3-fluoropropyl)azetidin-3-yl)amino)pyridin-2-yl)-8-methyl-7-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-5-ol
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| Formula |
C24H28F4N6O
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| Molecular Weight |
492.521
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| Canonical SMILES |
C[C@@H]1Cc2c(c(O)cc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F
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| InChI |
InChI=1S/C24H28F4N6O/c1-14-7-17-18-10-30-32-20(18)8-21(35)22(17)23(34(14)13-24(26,27)28)19-4-3-15(9-29-19)31-16-11-33(12-16)6-2-5-25/h3-4,8-10,14,16,23,31,35H,2,5-7,11-13H2,1H3,(H,30,32)/t14-,23-/m1/s1
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| InChIKey |
KVWNKKQAKBRJNT-QKFKETGDSA-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