General Information of the Compound
| Compound ID |
CP0466235
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| Compound Name |
N-[4-[(3-chlorophenyl)methylsulfamoyl]phenyl]-3-methylbenzamide
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| Formula |
C21H19ClN2O3S
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| Molecular Weight |
414.914
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| Canonical SMILES |
Cc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)NCc1cccc(Cl)c1
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| InChI |
InChI=1S/C21H19ClN2O3S/c1-15-4-2-6-17(12-15)21(25)24-19-8-10-20(11-9-19)28(26,27)23-14-16-5-3-7-18(22)13-16/h2-13,23H,14H2,1H3,(H,24,25)
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| InChIKey |
GQQRXAPFBYBOBC-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
Protein ID: PT04714, P2Y purinoceptor 2
Protein ID: PT05061, Uracil nucleotide/cysteinyl leukotriene receptor