General Information of the Compound
| Compound ID |
CP0579676
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| Compound Name |
1-[2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
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| Structure |
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| Formula |
C23H25F2N5O2
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| Molecular Weight |
441.482
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| Canonical SMILES |
CC(=O)N1Cc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC3CC3)nc2C=C1
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| InChI |
InChI=1S/C23H25F2N5O2/c1-14(31)30-11-8-19-20(13-30)28-23(22(27-19)26-16-3-4-16)29-9-6-17(7-10-29)32-21-5-2-15(24)12-18(21)25/h2,5,8,11-12,16-17H,3-4,6-7,9-10,13H2,1H3,(H,26,27)
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| InChIKey |
UJPWZSCQYUJKMV-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