General Information of the Compound
| Compound ID |
CP0447725
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| Compound Name |
4-(3-chlorophenylamino)quinazoline-6-carbonitrile
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| Structure |
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| Formula |
C15H9ClN4
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| Molecular Weight |
280.718
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| Canonical SMILES |
Clc1cccc(Nc2ncnc3ccc(cc23)C#N)c1
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| InChI |
InChI=1S/C15H9ClN4/c16-11-2-1-3-12(7-11)20-15-13-6-10(8-17)4-5-14(13)18-9-19-15/h1-7,9H,(H,18,19,20)
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| InChIKey |
RYXGDFIDRLMGBK-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