General Information of the Compound
| Compound ID |
CP0928285
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| Compound Name |
5-fluoro-6-((6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-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 |
C24H26F6N6
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| Molecular Weight |
512.502
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@@H](c2ncc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)F
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| InChI |
InChI=1S/C24H26F6N6/c1-13-7-17-16(3-4-19-20(17)23(27)34-33-19)22(36(13)12-24(28,29)30)21-18(26)8-14(9-31-21)32-15-10-35(11-15)6-2-5-25/h3-4,8-9,13,15,22,32H,2,5-7,10-12H2,1H3,(H,33,34)/t13-,22+/m1/s1
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| InChIKey |
XFDBWZWHJOLNAF-DMZKTXOQSA-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