General Information of the Compound
Compound ID |
CP0540346
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Compound Name |
4-Amino-N-[4-(5-amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-benzenesulfonamide
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Structure |
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Formula |
C22H21N5O2S
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Molecular Weight |
419.51
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Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
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InChI |
InChI=1S/C22H21N5O2S/c1-15-2-10-19(11-3-15)27-22(24)14-21(25-27)16-4-8-18(9-5-16)26-30(28,29)20-12-6-17(23)7-13-20/h2-14,26H,23-24H2,1H3
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InChIKey |
MLFQMTSVMZZOOY-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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