General Information of the Compound
| Compound ID |
CP0471744
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| Compound Name |
1-Benzyl-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-one
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| Structure |
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| Formula |
C27H24N2O2
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| Molecular Weight |
408.501
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccccc2)c2ccc(OCC#C)cc12
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| InChI |
InChI=1S/C27H24N2O2/c1-4-16-31-23-14-15-25-24(17-23)26(22-12-10-21(11-13-22)19(2)3)28-27(30)29(25)18-20-8-6-5-7-9-20/h1,5-15,17,19H,16,18H2,2-3H3
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| InChIKey |
WXYYACUWOMKZQC-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