General Information of the Compound
| Compound ID |
CP0448621
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| Compound Name |
4,4-Dimethyl-6-(5-nitro-1H-pyrrol-2-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
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| Structure |
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| Formula |
C14H13N3O4
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| Molecular Weight |
287.275
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| Canonical SMILES |
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc([nH]1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H13N3O4/c1-14(2)9-7-8(3-4-11(9)16-13(18)21-14)10-5-6-12(15-10)17(19)20/h3-7,15H,1-2H3,(H,16,18)
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| InChIKey |
SSSVZQDFTSCDPK-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