General Information of the Compound
| Compound ID |
CP0466231
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| Compound Name |
(3-nitrophenyl) 4-[(3-acetylbenzoyl)amino]benzenesulfonate
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| Formula |
C21H16N2O7S
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| Molecular Weight |
440.433
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| Canonical SMILES |
CC(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H16N2O7S/c1-14(24)15-4-2-5-16(12-15)21(25)22-17-8-10-20(11-9-17)31(28,29)30-19-7-3-6-18(13-19)23(26)27/h2-13H,1H3,(H,22,25)
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| InChIKey |
NOHUKQCQXMPKSM-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