General Information of the Compound
| Compound ID |
CP0538440
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| Compound Name |
N-[4-(4-nitrophenyl)butyl]-2-oxo-1,3-benzoxazole-3-carboxamide
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| Structure |
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| Formula |
C18H17N3O5
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| Molecular Weight |
355.35
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CCCCNC(=O)n2c3ccccc3oc2=O)cc1
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| InChI |
InChI=1S/C18H17N3O5/c22-17(20-15-6-1-2-7-16(15)26-18(20)23)19-12-4-3-5-13-8-10-14(11-9-13)21(24)25/h1-2,6-11H,3-5,12H2,(H,19,22)
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| InChIKey |
UOTWCZIHBVJPRD-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