General Information of the Compound
| Compound ID |
CP0866630
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| Compound Name |
4-Amino-6-(2'-chloro-4'-(methylsulfonylmethyl)biphenyl-4-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-one
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| Structure |
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| Formula |
C21H19ClN4O4S
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| Molecular Weight |
458.927
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| Canonical SMILES |
CS(=O)(=O)Cc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1
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| InChI |
InChI=1S/C21H19ClN4O4S/c1-31(28,29)11-13-2-7-16(17(22)10-13)14-3-5-15(6-4-14)26-8-9-30-20-18(21(26)27)19(23)24-12-25-20/h2-7,10,12H,8-9,11H2,1H3,(H2,23,24,25)
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| InChIKey |
QRLKDMWIRLOSLZ-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