General Information of the Compound
| Compound ID |
CP0537841
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| Compound Name |
methyl 3-[[3-[(3-methylbenzoyl)amino]phenyl]carbamoylamino]benzoate
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| Formula |
C23H21N3O4
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| Molecular Weight |
403.438
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2)c1
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| InChI |
InChI=1S/C23H21N3O4/c1-15-6-3-7-16(12-15)21(27)24-19-10-5-11-20(14-19)26-23(29)25-18-9-4-8-17(13-18)22(28)30-2/h3-14H,1-2H3,(H,24,27)(H2,25,26,29)
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| InChIKey |
GYXPQBSNHDVPLU-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