General Information of the Compound
| Compound ID |
CP0520750
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| Compound Name |
5-bromo-3,7,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
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| Formula |
C9H5BrN4
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| Molecular Weight |
249.071
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| Canonical SMILES |
Brc1cnc2c3ncccc3nn2c1
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| InChI |
InChI=1S/C9H5BrN4/c10-6-4-12-9-8-7(2-1-3-11-8)13-14(9)5-6/h1-5H
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| InChIKey |
GSPOZQUHSNJMRL-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B