General Information of the Compound
| Compound ID |
CP0552623
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| Compound Name |
(3-nitrophenyl) 4-[(3-methoxybenzoyl)amino]benzenesulfonate
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| Formula |
C20H16N2O7S
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| Molecular Weight |
428.422
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H16N2O7S/c1-28-17-6-2-4-14(12-17)20(23)21-15-8-10-19(11-9-15)30(26,27)29-18-7-3-5-16(13-18)22(24)25/h2-13H,1H3,(H,21,23)
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| InChIKey |
NXFMFXLMEUSPOH-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