General Information of the Compound
| Compound ID |
CP0848971
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| Compound Name |
3-(4-((2-chloro-5-fluoropyridin-3-yl)methyl)piperazin-1-yl)-N-cyclopropylquinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C23H23ClF4N6O2
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| Molecular Weight |
526.922
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| Canonical SMILES |
Fc1cnc(Cl)c(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H22ClFN6.C2HF3O2/c22-19-14(11-15(23)12-24-19)13-28-7-9-29(10-8-28)21-20(25-16-5-6-16)26-17-3-1-2-4-18(17)27-21;3-2(4,5)1(6)7/h1-4,11-12,16H,5-10,13H2,(H,25,26);(H,6,7)
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| InChIKey |
OCNHYXOPTFWFGV-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