General Information of the Compound
| Compound ID |
CP0466229
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| Compound Name |
methyl 3-[[3-[(3-methylphenyl)carbamoyl]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(c2)C(=O)Nc2cccc(C)c2)c1
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| InChI |
InChI=1S/C23H21N3O4/c1-15-6-3-9-18(12-15)24-21(27)16-7-4-10-19(13-16)25-23(29)26-20-11-5-8-17(14-20)22(28)30-2/h3-14H,1-2H3,(H,24,27)(H2,25,26,29)
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| InChIKey |
YASUBQFVWXABEY-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