General Information of the Compound
Compound ID |
CP0954754
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Compound Name |
1-(3-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-2-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone trifluoroacetic acid
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Structure |
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Formula |
C26H33F4N5O5
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Molecular Weight |
571.572
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Canonical SMILES |
COc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CCN(C(C)=O)C4)CC2)c(F)c1.O=C(O)C(F)(F)F
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InChI |
InChI=1S/C24H32FN5O3.C2HF3O2/c1-15(2)26-23-24(28-21-14-30(16(3)31)12-9-20(21)27-23)29-10-7-17(8-11-29)33-22-6-5-18(32-4)13-19(22)25;3-2(4,5)1(6)7/h5-6,13,15,17H,7-12,14H2,1-4H3,(H,26,27);(H,6,7)
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InChIKey |
DSQNIDJOADQANC-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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