General Information of the Compound
| Compound ID |
CP0965244
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| Compound Name |
2,2-Difluoro-3-((1R,3R)-1-(6-((1-(3-fluoropropyl)azetidin-3-yl)amino)pyridin-3-yl)-3-methyl-3,4-dihydro-1Hpyrido[3,4-b]indol-2(9H)-yl)propan-1-ol
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| Formula |
C26H32F3N5O
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| Molecular Weight |
487.57
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(NC3CN(CCCF)C3)nc2)N1CC(F)(F)CO
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| InChI |
InChI=1S/C26H32F3N5O/c1-17-11-21-20-5-2-3-6-22(20)32-24(21)25(34(17)15-26(28,29)16-35)18-7-8-23(30-12-18)31-19-13-33(14-19)10-4-9-27/h2-3,5-8,12,17,19,25,32,35H,4,9-11,13-16H2,1H3,(H,30,31)/t17-,25-/m1/s1
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| InChIKey |
KZARESIGBSZULW-CRICUBBOSA-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