General Information of the Compound
| Compound ID |
CP0954421
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| Compound Name |
(S)-N-cyclopropyl-3-(4-((2,4-difluorophenyl)fluoromethyl)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 |
C23H22F6N6O2
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| Molecular Weight |
528.457
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| Canonical SMILES |
Fc1ccc([C@@H](F)C2CCN(c3nc4cnncc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N6.C2HF3O2/c22-13-1-4-15(16(23)9-13)19(24)12-5-7-30(8-6-12)21-20(27-14-2-3-14)28-17-10-25-26-11-18(17)29-21;3-2(4,5)1(6)7/h1,4,9-12,14,19H,2-3,5-8H2,(H,27,28);(H,6,7)/t19-;/m0./s1
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| InChIKey |
YBOQQVYMENOZGG-FYZYNONXSA-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