General Information of the Compound
| Compound ID |
CP0894392
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| Compound Name |
N-((4'-(4-Amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)-2-chlorobiphenyl-4-yl)methyl)-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C22H22ClN5O4S
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| Molecular Weight |
487.969
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| Canonical SMILES |
CN(Cc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H22ClN5O4S/c1-27(33(2,30)31)12-14-3-8-17(18(23)11-14)15-4-6-16(7-5-15)28-9-10-32-21-19(22(28)29)20(24)25-13-26-21/h3-8,11,13H,9-10,12H2,1-2H3,(H2,24,25,26)
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| InChIKey |
ASMVRNAHTINBOO-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