General Information of the Compound
| Compound ID |
CP0477419
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| Compound Name |
(R)-1-(2-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethan-1-one
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| Structure |
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| Formula |
C24H30F3N5O
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| Molecular Weight |
461.532
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| Canonical SMILES |
CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)[C@@H](F)c1ccc(F)cc1F)C(C)=O
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| InChI |
InChI=1S/C24H30F3N5O/c1-14(2)28-23-24(30-20-8-11-32(15(3)33)13-21(20)29-23)31-9-6-16(7-10-31)22(27)18-5-4-17(25)12-19(18)26/h4-5,12,14,16,22H,6-11,13H2,1-3H3,(H,28,29)/t22-/m1/s1
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| InChIKey |
TZLIJUSGPVQVEO-JOCHJYFZSA-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