General Information of the Compound
| Compound ID |
CP0393129
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| Compound Name |
3-[[2-(3-methoxyphenyl)quinazolin-4-yl]amino]benzonitrile
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| Structure |
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| Formula |
C22H16N4O
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| Molecular Weight |
352.397
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| Canonical SMILES |
COc1cccc(c1)-c1nc(Nc2cccc(c2)C#N)c2ccccc2n1
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| InChI |
InChI=1S/C22H16N4O/c1-27-18-9-5-7-16(13-18)21-25-20-11-3-2-10-19(20)22(26-21)24-17-8-4-6-15(12-17)14-23/h2-13H,1H3,(H,24,25,26)
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| InChIKey |
XZZMPISHPSSDHP-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