General Information of the Compound
| Compound ID |
CP0967878
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| Compound Name |
N-cyclopropyl-3-(4-(2,4-difluorobenzyl)piperazin-1-y1)pyrazino[2,3-d]pyridazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C22H22F5N7O2
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| Molecular Weight |
511.455
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| Canonical SMILES |
Fc1ccc(CN2CCN(c3nc4cnncc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C20H21F2N7.C2HF3O2/c21-14-2-1-13(16(22)9-14)12-28-5-7-29(8-6-28)20-19(25-15-3-4-15)26-17-10-23-24-11-18(17)27-20;3-2(4,5)1(6)7/h1-2,9-11,15H,3-8,12H2,(H,25,26);(H,6,7)
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| InChIKey |
RMWNLXQXMHOQRH-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