General Information of the Compound
| Compound ID |
CP0861430
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| Compound Name |
N-cyclopropyl-3-(4-(2-fluoro-4-(methylthio)phenoxy)piperidin-1-yl)pyrazino[2,3-d]pyridazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C23H24F4N6O3S
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| Molecular Weight |
540.543
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| Canonical SMILES |
CSc1ccc(OC2CCN(c3nc4cnncc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H23FN6OS.C2HF3O2/c1-30-15-4-5-19(16(22)10-15)29-14-6-8-28(9-7-14)21-20(25-13-2-3-13)26-17-11-23-24-12-18(17)27-21;3-2(4,5)1(6)7/h4-5,10-14H,2-3,6-9H2,1H3,(H,25,26);(H,6,7)
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| InChIKey |
BOCHUJULTYMMJP-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