General Information of the Compound
| Compound ID |
CP0905667
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| Compound Name |
3-(4-(4-chlorophenylsulfonyl)piperazin-1-yl)-2-(cyclopropylamino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H22ClF3N6O4S
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| Molecular Weight |
582.992
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| Canonical SMILES |
N#Cc1ccc2nc(NC3CC3)c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H21ClN6O2S.C2HF3O2/c23-16-2-6-18(7-3-16)32(30,31)29-11-9-28(10-12-29)22-21(25-17-4-5-17)26-19-8-1-15(14-24)13-20(19)27-22;3-2(4,5)1(6)7/h1-3,6-8,13,17H,4-5,9-12H2,(H,25,26);(H,6,7)
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| InChIKey |
BZNWJUYTHLBVRH-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