General Information of the Compound
| Compound ID |
CP0445072
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| Compound Name |
4-[[2-(naphthalene-1-carbonylamino)benzoyl]amino]butanoic acid
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| Structure |
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| Formula |
C22H20N2O4
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| Molecular Weight |
376.412
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| Canonical SMILES |
OC(=O)CCCNC(=O)c1ccccc1NC(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H20N2O4/c25-20(26)13-6-14-23-21(27)18-10-3-4-12-19(18)24-22(28)17-11-5-8-15-7-1-2-9-16(15)17/h1-5,7-12H,6,13-14H2,(H,23,27)(H,24,28)(H,25,26)
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| InChIKey |
WYKOTVVGSDPHLD-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