General Information of the Compound
| Compound ID |
CP0466239
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| Compound Name |
3-[[4-[(3-methylbenzoyl)amino]phenyl]carbamoylamino]benzoic acid
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| Formula |
C22H19N3O4
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| Molecular Weight |
389.411
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| Canonical SMILES |
Cc1cccc(c1)C(=O)Nc1ccc(NC(=O)Nc2cccc(c2)C(O)=O)cc1
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| InChI |
InChI=1S/C22H19N3O4/c1-14-4-2-5-15(12-14)20(26)23-17-8-10-18(11-9-17)24-22(29)25-19-7-3-6-16(13-19)21(27)28/h2-13H,1H3,(H,23,26)(H,27,28)(H2,24,25,29)
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| InChIKey |
PLCWPBSECRRKQV-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