General Information of the Compound
| Compound ID |
CP0543168
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| Compound Name |
11-(2-amino-5-nitrophenyl)-2-phenyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one
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| Structure |
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| Formula |
C22H16N4O4
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| Molecular Weight |
400.394
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| Canonical SMILES |
Nc1ccc(cc1-c1nc2cccc3OCC(c4ccccc4)n(c23)c1=O)[N+]([O-])=O
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| InChI |
InChI=1S/C22H16N4O4/c23-16-10-9-14(26(28)29)11-15(16)20-22(27)25-18(13-5-2-1-3-6-13)12-30-19-8-4-7-17(24-20)21(19)25/h1-11,18H,12,23H2
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| InChIKey |
ZNODOLFSZOXKTE-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