General Information of the Compound
| Compound ID |
CP0444264
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| Compound Name |
3-[(6-nitro-2-pyridin-4-ylquinazolin-4-yl)amino]benzonitrile
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| Structure |
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| Formula |
C20H12N6O2
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| Molecular Weight |
368.356
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc(nc(Nc3cccc(c3)C#N)c2c1)-c1ccncc1
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| InChI |
InChI=1S/C20H12N6O2/c21-12-13-2-1-3-15(10-13)23-20-17-11-16(26(27)28)4-5-18(17)24-19(25-20)14-6-8-22-9-7-14/h1-11H,(H,23,24,25)
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| InChIKey |
UBDOYGVMAGRXTP-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