General Information of the Compound
| Compound ID |
CP0965827
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| Compound Name |
4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N-(2-(dimethylamino)ethyl)benzamide
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| Structure |
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| Formula |
C22H24N6O
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| Molecular Weight |
388.475
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| Canonical SMILES |
CN(C)CCNC(=O)c1ccc(CCNc2ncnc3ccc(C#N)cc23)cc1
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| InChI |
InChI=1S/C22H24N6O/c1-28(2)12-11-25-22(29)18-6-3-16(4-7-18)9-10-24-21-19-13-17(14-23)5-8-20(19)26-15-27-21/h3-8,13,15H,9-12H2,1-2H3,(H,25,29)(H,24,26,27)
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| InChIKey |
TXRZTYGHELIRIH-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