General Information of the Compound
| Compound ID |
CP0404643
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| Compound Name |
8-[(3-Bromophenyl)amino]-1H-pyrazolo[3,4-g]quinazoline
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| Structure |
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| Formula |
C15H10BrN5
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| Molecular Weight |
340.184
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3cc4cn[nH]c4cc23)c1
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| InChI |
InChI=1S/C15H10BrN5/c16-10-2-1-3-11(5-10)20-15-12-6-13-9(7-19-21-13)4-14(12)17-8-18-15/h1-8H,(H,19,21)(H,17,18,20)
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| InChIKey |
PKYIIOKOAUBHMM-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