General Information of the Compound
| Compound ID |
CP0896501
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| Compound Name |
3-(4-((2-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#Cc1ccc2nc(NC3CC3)c(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H21N7O2S.C2HF3O2/c24-14-16-5-8-19-20(13-16)28-23(22(27-19)26-18-6-7-18)29-9-11-30(12-10-29)33(31,32)21-4-2-1-3-17(21)15-25;3-2(4,5)1(6)7/h1-5,8,13,18H,6-7,9-12H2,(H,26,27);(H,6,7)
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| InChIKey |
IHQMFQVJJNQXRY-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