General Information of the Compound
| Compound ID |
CP0123793
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| Compound Name |
5-[(3-Bromophenyl)amino]-1-methylpyrazolo[4,3-g]-quinazoline
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| Structure |
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| Formula |
C16H12BrN5
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| Molecular Weight |
354.211
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| Canonical SMILES |
Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
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| InChI |
InChI=1S/C16H12BrN5/c1-22-15-7-14-13(5-10(15)8-20-22)16(19-9-18-14)21-12-4-2-3-11(17)6-12/h2-9H,1H3,(H,18,19,21)
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| InChIKey |
BBWYQCNFQUTQED-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