General Information of the Compound
| Compound ID |
CP0956603
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| Compound Name |
2-(tert-butylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)pyrido[3,4-b]pyrazine-7-carbonitrile
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| Structure |
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| Formula |
C23H24F2N6O
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| Molecular Weight |
438.482
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| Canonical SMILES |
CC(C)(C)Nc1nc2cc(C#N)ncc2nc1N1CCC(Oc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C23H24F2N6O/c1-23(2,3)30-21-22(29-19-13-27-15(12-26)11-18(19)28-21)31-8-6-16(7-9-31)32-20-5-4-14(24)10-17(20)25/h4-5,10-11,13,16H,6-9H2,1-3H3,(H,28,30)
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| InChIKey |
XYXLLFLQGLMHJP-UHFFFAOYSA-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