General Information of the Compound
| Compound ID |
CP0380700
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| Compound Name |
5-{[4-(3-Phenyl-ureido)-phenylamino]-methyl}-isophthalic acid dimethyl ester
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| Structure |
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| Formula |
C24H23N3O5
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| Molecular Weight |
433.464
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| Canonical SMILES |
COC(=O)c1cc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)cc(c1)C(=O)OC
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| InChI |
InChI=1S/C24H23N3O5/c1-31-22(28)17-12-16(13-18(14-17)23(29)32-2)15-25-19-8-10-21(11-9-19)27-24(30)26-20-6-4-3-5-7-20/h3-14,25H,15H2,1-2H3,(H2,26,27,30)
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| InChIKey |
QXVBUWXIRURLMY-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