General Information of the Compound
| Compound ID |
CP0948274
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| Compound Name |
4-Amino-6-(2'-chloro-4'-((2-oxopyrimidin-1(2H)-yl)methyl)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 |
C24H19ClN6O3
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| Molecular Weight |
474.908
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| Canonical SMILES |
Nc1ncnc2c1C(=O)N(c1ccc(-c3ccc(Cn4cccnc4=O)cc3Cl)cc1)CCO2
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| InChI |
InChI=1S/C24H19ClN6O3/c25-19-12-15(13-30-9-1-8-27-24(30)33)2-7-18(19)16-3-5-17(6-4-16)31-10-11-34-22-20(23(31)32)21(26)28-14-29-22/h1-9,12,14H,10-11,13H2,(H2,26,28,29)
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| InChIKey |
WKIWXEOWGUTJDA-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