General Information of the Compound
| Compound ID |
CP0436668
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| Compound Name |
6-bromo-7-methoxy-8-nitro-3-(2H-tetrazol-5-yl)chromen-2-one
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| Structure |
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| Formula |
C11H6BrN5O5
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| Molecular Weight |
368.103
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| Canonical SMILES |
COc1c(Br)cc2cc(-c3nnn[nH]3)c(=O)oc2c1[N+]([O-])=O
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| InChI |
InChI=1S/C11H6BrN5O5/c1-21-9-6(12)3-4-2-5(10-13-15-16-14-10)11(18)22-8(4)7(9)17(19)20/h2-3H,1H3,(H,13,14,15,16)
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| InChIKey |
CWRNJGARTVXWND-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