General Information of the Compound
| Compound ID |
CP0943438
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| Compound Name |
4-(2-(6-cyanoquinazolin-4-ylamino)ethyl)-N-(2-methoxyethyl)benzamide
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| Structure |
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| Formula |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
COCCNC(=O)c1ccc(CCNc2ncnc3ccc(C#N)cc23)cc1
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| InChI |
InChI=1S/C21H21N5O2/c1-28-11-10-24-21(27)17-5-2-15(3-6-17)8-9-23-20-18-12-16(13-22)4-7-19(18)25-14-26-20/h2-7,12,14H,8-11H2,1H3,(H,24,27)(H,23,25,26)
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| InChIKey |
DJDSVNGBIWOUMP-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