General Information of the Compound
| Compound ID |
CP0970090
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| Compound Name |
(R)-2-(cyclopropylamino)-3-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)pyrido[3,4-b]pyrazine-7-carbonitrile
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| Structure |
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| Formula |
C23H21F3N6
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| Molecular Weight |
438.457
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| Canonical SMILES |
N#Cc1cc2nc(NC3CC3)c(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)nc2cn1
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| InChI |
InChI=1S/C23H21F3N6/c24-14-1-4-17(18(25)9-14)21(26)13-5-7-32(8-6-13)23-22(29-15-2-3-15)30-19-10-16(11-27)28-12-20(19)31-23/h1,4,9-10,12-13,15,21H,2-3,5-8H2,(H,29,30)/t21-/m1/s1
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| InChIKey |
OPCAETGRTOUXGY-OAQYLSRUSA-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