General Information of the Compound
| Compound ID |
CP0466717
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| Compound Name |
3-[(2-thiophen-2-ylquinazolin-4-yl)amino]benzonitrile
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| Structure |
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| Formula |
C19H12N4S
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| Molecular Weight |
328.4
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| Canonical SMILES |
N#Cc1cccc(Nc2nc(nc3ccccc23)-c2cccs2)c1
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| InChI |
InChI=1S/C19H12N4S/c20-12-13-5-3-6-14(11-13)21-18-15-7-1-2-8-16(15)22-19(23-18)17-9-4-10-24-17/h1-11H,(H,21,22,23)
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| InChIKey |
GKIWTAJUERGDPI-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