General Information of the Compound
| Compound ID |
CP0500408
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| Compound Name |
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-nitrobenzenesulfonamide
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| Structure |
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| Formula |
C22H19N5O4S
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| Molecular Weight |
449.492
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C22H19N5O4S/c1-15-2-8-18(9-3-15)26-22(23)14-21(24-26)16-4-6-17(7-5-16)25-32(30,31)20-12-10-19(11-13-20)27(28)29/h2-14,25H,23H2,1H3
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| InChIKey |
LLDXCXPWVDBVNS-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