General Information of the Compound
| Compound ID |
CP0440712
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| Compound Name |
N-[4-[[5-(3-butyl-4-oxo-1,2-dihydroquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide
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| Structure |
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| Formula |
C28H31N3O4
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| Molecular Weight |
473.573
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| Canonical SMILES |
CCCCN1C(Nc2ccccc2C1=O)c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1
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| InChI |
InChI=1S/C28H31N3O4/c1-4-5-16-31-27(30-25-9-7-6-8-24(25)28(31)33)20-10-15-26(34-3)21(17-20)18-35-23-13-11-22(12-14-23)29-19(2)32/h6-15,17,27,30H,4-5,16,18H2,1-3H3,(H,29,32)
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| InChIKey |
LUUUMPKAFPXQRW-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