General Information of the Compound
| Compound ID |
CP0506529
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| Compound Name |
4-Anilinoquinazoline deriv. 47
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| Structure |
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| Formula |
C14H9BrN4O2
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| Molecular Weight |
345.156
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| Canonical SMILES |
[O-][N+](=O)c1ccc2c(Nc3cccc(Br)c3)ncnc2c1
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| InChI |
InChI=1S/C14H9BrN4O2/c15-9-2-1-3-10(6-9)18-14-12-5-4-11(19(20)21)7-13(12)16-8-17-14/h1-8H,(H,16,17,18)
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| InChIKey |
RZBBKHCMKJSCKV-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