General Information of the Compound
| Compound ID |
CP0848982
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| Compound Name |
3-(4-((4-chloro-2,5-dimethylphenyl)sulfonyl)piperazin-1-yl)-2-(cyclopropylamino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H26ClF3N6O4S
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| Molecular Weight |
611.046
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| Canonical SMILES |
Cc1cc(S(=O)(=O)N2CCN(c3nc4cc(C#N)ccc4nc3NC3CC3)CC2)c(C)cc1Cl.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H25ClN6O2S.C2HF3O2/c1-15-12-22(16(2)11-19(15)25)34(32,33)31-9-7-30(8-10-31)24-23(27-18-4-5-18)28-20-6-3-17(14-26)13-21(20)29-24;3-2(4,5)1(6)7/h3,6,11-13,18H,4-5,7-10H2,1-2H3,(H,27,28);(H,6,7)
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| InChIKey |
UPMNDVFTBIMOGK-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