General Information of the Compound
| Compound ID |
CP0381189
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| Compound Name |
1-(4-Isopropyl-benzyl)-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-one
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| Structure |
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| Formula |
C30H30N2O2
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| Molecular Weight |
450.582
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| Canonical SMILES |
CC(C)c1ccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)cc1
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| InChI |
InChI=1S/C30H30N2O2/c1-6-17-34-26-15-16-28-27(18-26)29(25-13-11-24(12-14-25)21(4)5)31-30(33)32(28)19-22-7-9-23(10-8-22)20(2)3/h1,7-16,18,20-21H,17,19H2,2-5H3
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| InChIKey |
PJKVUIFHOSCJBW-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