General Information of the Compound
| Compound ID |
CP0947166
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| Compound Name |
4'-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)-2-chlorobiphenyl-3-carbonitrile
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| Structure |
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| Formula |
C20H14ClN5O2
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| Molecular Weight |
391.818
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| Canonical SMILES |
N#Cc1cccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c1Cl
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| InChI |
InChI=1S/C20H14ClN5O2/c21-17-13(10-22)2-1-3-15(17)12-4-6-14(7-5-12)26-8-9-28-19-16(20(26)27)18(23)24-11-25-19/h1-7,11H,8-9H2,(H2,23,24,25)
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| InChIKey |
JGWIEHZNLZLGKQ-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