General Information of the Compound
| Compound ID |
CP0391872
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| Compound Name |
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]decanamide
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| Structure |
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| Formula |
C31H44N4O3
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| Molecular Weight |
520.718
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| Canonical SMILES |
CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C31H44N4O3/c1-6-7-8-9-10-11-12-17-29(36)34(23-22-33(3)4)24(2)30-32-28-16-14-13-15-27(28)31(37)35(30)25-18-20-26(38-5)21-19-25/h13-16,18-21,24H,6-12,17,22-23H2,1-5H3
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| InChIKey |
RWRKPZJCRICMSC-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