General Information of the Compound
| Compound ID |
CP0464992
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| Compound Name |
2-(6-(3-((dimethylamino)methyl)phenyl)-2-(3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
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| Structure |
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| Formula |
C29H32N4O3
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| Molecular Weight |
484.6
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| Canonical SMILES |
COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cccc(CN(C)C)c1
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| InChI |
InChI=1S/C29H32N4O3/c1-19(2)30-27(34)18-33-28(23-10-7-11-24(15-23)36-5)31-26-13-12-22(16-25(26)29(33)35)21-9-6-8-20(14-21)17-32(3)4/h6-16,19H,17-18H2,1-5H3,(H,30,34)
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| InChIKey |
LPENTUWRJDWCMV-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