General Information of the Compound
| Compound ID |
CP0878897
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| Compound Name |
3-(4-((3-cyanophenyl)sulfonyl)piperazin-1-yl)-2-(cyclopropylamino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H22F3N7O4S
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| Molecular Weight |
573.557
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| Canonical SMILES |
N#Cc1cccc(S(=O)(=O)N2CCN(c3nc4cc(C#N)ccc4nc3NC3CC3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H21N7O2S.C2HF3O2/c24-14-16-2-1-3-19(12-16)33(31,32)30-10-8-29(9-11-30)23-22(26-18-5-6-18)27-20-7-4-17(15-25)13-21(20)28-23;3-2(4,5)1(6)7/h1-4,7,12-13,18H,5-6,8-11H2,(H,26,27);(H,6,7)
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| InChIKey |
MZUZHLAQDNJFHE-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