General Information of the Compound
| Compound ID |
CP0466240
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| Compound Name |
N-[4-[(3-methylphenyl)carbamoyl]phenyl]-3-nitrobenzamide
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| Structure |
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| Formula |
C21H17N3O4
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| Molecular Weight |
375.384
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| Canonical SMILES |
Cc1cccc(NC(=O)c2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)cc2)c1
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| InChI |
InChI=1S/C21H17N3O4/c1-14-4-2-6-18(12-14)23-20(25)15-8-10-17(11-9-15)22-21(26)16-5-3-7-19(13-16)24(27)28/h2-13H,1H3,(H,22,26)(H,23,25)
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| InChIKey |
NPWDLWXNXPKWSG-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