General Information of the Compound
| Compound ID |
CP0953507
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| Compound Name |
4-((1-(2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl)piperidin-4-yl)oxy)-3-fluorobenzonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C23H21F4N7O3
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| Molecular Weight |
519.459
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| Canonical SMILES |
N#Cc1ccc(OC2CCN(c3nc4cnncc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H20FN7O.C2HF3O2/c22-16-9-13(10-23)1-4-19(16)30-15-5-7-29(8-6-15)21-20(26-14-2-3-14)27-17-11-24-25-12-18(17)28-21;3-2(4,5)1(6)7/h1,4,9,11-12,14-15H,2-3,5-8H2,(H,26,27);(H,6,7)
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| InChIKey |
YLGPLCMSQARVEG-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