General Information of the Compound
| Compound ID |
CP0424456
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| Compound Name |
N-(3-nitrophenyl)-2-thiophen-2-ylquinazolin-4-amine
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| Structure |
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| Formula |
C18H12N4O2S
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| Molecular Weight |
348.387
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| Canonical SMILES |
[O-][N+](=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccs2)c1
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| InChI |
InChI=1S/C18H12N4O2S/c23-22(24)13-6-3-5-12(11-13)19-17-14-7-1-2-8-15(14)20-18(21-17)16-9-4-10-25-16/h1-11H,(H,19,20,21)
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| InChIKey |
VZXDRFNXDKSMPC-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