General Information of the Compound
| Compound ID |
CP0962307
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| Compound Name |
4-((1-(6-acetyl-3-(isopropylamino)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-2-yl)piperidin-4-yl)oxy)-3-fluorobenzonitrile trifluoroacetic acid
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| Structure |
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| Formula |
C26H30F4N6O4
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| Molecular Weight |
566.556
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| Canonical SMILES |
CC(=O)N1CCc2nc(N3CCC(Oc4ccc(C#N)cc4F)CC3)c(NC(C)C)nc2C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H29FN6O2.C2HF3O2/c1-15(2)27-23-24(29-20-8-11-31(16(3)32)14-21(20)28-23)30-9-6-18(7-10-30)33-22-5-4-17(13-26)12-19(22)25;3-2(4,5)1(6)7/h4-5,12,15,18H,6-11,14H2,1-3H3,(H,27,28);(H,6,7)
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| InChIKey |
KSNNYOUFRZSXQN-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