General Information of the Compound
| Compound ID |
CP0465194
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| Compound Name |
8-[(3-Bromophenyl)amino]-1H-1,2,3-triazolo[4,5-g]-quinazoline
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| Structure |
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| Formula |
C14H9BrN6
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| Molecular Weight |
341.172
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3cc4nn[nH]c4cc23)c1
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| InChI |
InChI=1S/C14H9BrN6/c15-8-2-1-3-9(4-8)18-14-10-5-12-13(20-21-19-12)6-11(10)16-7-17-14/h1-7H,(H,16,17,18)(H,19,20,21)
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| InChIKey |
VICIYGAOMIRRLW-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