General Information of the Compound
| Compound ID |
CP0909900
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| Compound Name |
3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-N-isopropyl-8-methylpyrazino[2,3-d]pyridazin-2-amine 2,2,2-trifluoroacetic acid salt
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| Structure |
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| Formula |
C23H25F5N6O3
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| Molecular Weight |
528.482
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| Canonical SMILES |
Cc1nncc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC(C)C)nc12.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H24F2N6O.C2HF3O2/c1-12(2)25-20-21(26-17-11-24-28-13(3)19(17)27-20)29-8-6-15(7-9-29)30-18-5-4-14(22)10-16(18)23;3-2(4,5)1(6)7/h4-5,10-12,15H,6-9H2,1-3H3,(H,25,27);(H,6,7)
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| InChIKey |
IKDPQOQACWYVNF-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