General Information of the Compound
| Compound ID |
CP0967539
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| Compound Name |
3-(4-((3-chloro-5-fluoro-2-methylphenyl)sulfonyl)piperazin-1-yl)-2-(cyclopropylamino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H23ClF4N6O4S
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| Molecular Weight |
615.009
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| Canonical SMILES |
Cc1c(Cl)cc(F)cc1S(=O)(=O)N1CCN(c2nc3cc(C#N)ccc3nc2NC2CC2)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H22ClFN6O2S.C2HF3O2/c1-14-18(24)11-16(25)12-21(14)34(32,33)31-8-6-30(7-9-31)23-22(27-17-3-4-17)28-19-5-2-15(13-26)10-20(19)29-23;3-2(4,5)1(6)7/h2,5,10-12,17H,3-4,6-9H2,1H3,(H,27,28);(H,6,7)
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| InChIKey |
NIQFRDJXMCKROR-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