General Information of the Compound
| Compound ID |
CP0473837
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| Compound Name |
2-methyl-9-nitro-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one
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| Structure |
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| Formula |
C12H11N3O4
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| Molecular Weight |
261.237
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| Canonical SMILES |
CC1=NN2C(C1)c1ccc(cc1OCC2=O)[N+]([O-])=O
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| InChI |
InChI=1S/C12H11N3O4/c1-7-4-10-9-3-2-8(15(17)18)5-11(9)19-6-12(16)14(10)13-7/h2-3,5,10H,4,6H2,1H3
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| InChIKey |
SRHBDOAFJPZYDE-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