General Information of the Compound
| Compound ID |
CP0337893
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| Compound Name |
2-[[3-[(4-amoxycarbonylphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C27H26N2O6
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| Molecular Weight |
474.513
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| Canonical SMILES |
CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(O)=O)c2)cc1
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| InChI |
InChI=1S/C27H26N2O6/c1-2-3-6-16-35-27(34)18-12-14-20(15-13-18)28-24(30)19-8-7-9-21(17-19)29-25(31)22-10-4-5-11-23(22)26(32)33/h4-5,7-15,17H,2-3,6,16H2,1H3,(H,28,30)(H,29,31)(H,32,33)
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| InChIKey |
LWKSSHLNCJUBSP-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