General Information of the Compound
| Compound ID |
CP0967239
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| Compound Name |
3-(4-(2-bromophenylsulfonyl)piperazin-1-yl)-2-(cyclopropylamino)quinoxaline-6-carbonitrile
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| Structure |
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| Formula |
C22H21BrN6O2S
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| Molecular Weight |
513.421
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| Canonical SMILES |
N#Cc1ccc2nc(NC3CC3)c(N3CCN(S(=O)(=O)c4ccccc4Br)CC3)nc2c1
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| InChI |
InChI=1S/C22H21BrN6O2S/c23-17-3-1-2-4-20(17)32(30,31)29-11-9-28(10-12-29)22-21(25-16-6-7-16)26-18-8-5-15(14-24)13-19(18)27-22/h1-5,8,13,16H,6-7,9-12H2,(H,25,26)
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| InChIKey |
XYDPBAAWYASQLN-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