General Information of the Compound
| Compound ID |
CP0536529
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| Compound Name |
2-N-(3,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
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| Structure |
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| Formula |
C21H20N4O
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| Molecular Weight |
344.418
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| Canonical SMILES |
Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1C
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| InChI |
InChI=1S/C21H20N4O/c1-14-9-10-16(12-15(14)2)23-21-24-19-8-4-3-7-18(19)20(25-21)22-13-17-6-5-11-26-17/h3-12H,13H2,1-2H3,(H2,22,23,24,25)
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| InChIKey |
IDMCUZIMHHEKRB-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