General Information of the Compound
| Compound ID |
CP0399861
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| Compound Name |
N-[1-[3-(2-cyanophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[2-(dimethylamino)ethyl]decanamide
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| Structure |
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| Formula |
C31H41N5O2
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| Molecular Weight |
515.702
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| Canonical SMILES |
CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C#N
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| InChI |
InChI=1S/C31H41N5O2/c1-5-6-7-8-9-10-11-20-29(37)35(22-21-34(3)4)24(2)30-33-27-18-14-13-17-26(27)31(38)36(30)28-19-15-12-16-25(28)23-32/h12-19,24H,5-11,20-22H2,1-4H3
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| InChIKey |
IKEMGMSJFAOIEK-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