General Information of the Compound
| Compound ID |
CP0408968
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| Compound Name |
5-(4-chlorophenyl)-2-(6,7-dimethoxyquinazolin-4-yl)-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C18H15ClN6O2
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| Molecular Weight |
382.811
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(nc3N)-c3ccc(Cl)cc3)c2cc1OC
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| InChI |
InChI=1S/C18H15ClN6O2/c1-26-14-7-12-13(8-15(14)27-2)21-9-22-17(12)25-18(20)23-16(24-25)10-3-5-11(19)6-4-10/h3-9H,1-2H3,(H2,20,23,24)
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| InChIKey |
BJEWLDSERODQTA-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