General Information of the Compound
| Compound ID |
CP0514906
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| Compound Name |
6-(Propargylamino)-1-isopropyl-4-(4-isopropyl-phenyl)-1H-quinazolin-2-one
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| Structure |
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| Formula |
C23H25N3O
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| Molecular Weight |
359.473
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nc(=O)n(C(C)C)c2ccc(NCC#C)cc12
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| InChI |
InChI=1S/C23H25N3O/c1-6-13-24-19-11-12-21-20(14-19)22(25-23(27)26(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h1,7-12,14-16,24H,13H2,2-5H3
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| InChIKey |
QWJVHLKUOSQDLL-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