General Information of the Compound
| Compound ID |
CP0957835
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| Compound Name |
1-(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2-methoxypropan-1-one trifluoroacetic acid
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| Structure |
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| Formula |
C27H34F5N5O5
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| Molecular Weight |
603.589
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| Canonical SMILES |
COC(C)C(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC(C)C)nc2C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H33F2N5O3.C2HF3O2/c1-15(2)28-23-24(30-20-9-12-32(14-21(20)29-23)25(33)16(3)34-4)31-10-7-18(8-11-31)35-22-6-5-17(26)13-19(22)27;3-2(4,5)1(6)7/h5-6,13,15-16,18H,7-12,14H2,1-4H3,(H,28,29);(H,6,7)
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| InChIKey |
MYSCOGZPNWMLJD-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