General Information of the Compound
| Compound ID |
CP0378764
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| Compound Name |
N-[2-(4-methylanilino)-5-nitrophenyl]sulfonylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C19H22N4O5S
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| Molecular Weight |
418.475
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| Canonical SMILES |
Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)N2CCCCC2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C19H22N4O5S/c1-14-5-7-15(8-6-14)20-17-10-9-16(23(25)26)13-18(17)29(27,28)21-19(24)22-11-3-2-4-12-22/h5-10,13,20H,2-4,11-12H2,1H3,(H,21,24)
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| InChIKey |
ZRZPADJCBAXTCO-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: PT01819, Thromboxane A2 receptor