General Information of the Compound
| Compound ID |
CP0546207
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| Compound Name |
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrothiophene-2-carboxamide
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| Structure |
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| Formula |
C20H15N3O4S
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| Molecular Weight |
393.424
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| Canonical SMILES |
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3ccc(s3)[N+]([O-])=O)ccc2o1
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| InChI |
InChI=1S/C20H15N3O4S/c1-2-12-3-5-13(6-4-12)20-22-15-11-14(7-8-16(15)27-20)21-19(24)17-9-10-18(28-17)23(25)26/h3-11H,2H2,1H3,(H,21,24)
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| InChIKey |
BVMCWSZIRUWEBS-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