General Information of the Compound
| Compound ID |
CP0373944
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| Compound Name |
7-(4-(4-aminobenzamido)benzamido)-4-hydroxynaphthalene-2-sulfonic acid
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| Structure |
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| Formula |
C24H19N3O6S
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| Molecular Weight |
477.498
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| Canonical SMILES |
Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc2c(O)cc(cc2c1)S(O)(=O)=O
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| InChI |
InChI=1S/C24H19N3O6S/c25-17-5-1-14(2-6-17)23(29)26-18-7-3-15(4-8-18)24(30)27-19-9-10-21-16(11-19)12-20(13-22(21)28)34(31,32)33/h1-13,28H,25H2,(H,26,29)(H,27,30)(H,31,32,33)
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| InChIKey |
ZRLIGKOKBJUIIR-UHFFFAOYSA-N
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| CAS |
91-45-2
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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: PT03925, Lysophosphatidic acid receptor 1
Protein ID: PT04536, Lysophosphatidic acid receptor 2