General Information of the Compound
| Compound ID |
CP0962036
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| Compound Name |
2-Amino-N-((4'-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6(5H)-yl)-2-chlorobiphenyl-4-yl)methyl)-N-methylacetamide
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| Structure |
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| Formula |
C23H23ClN6O3
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| Molecular Weight |
466.929
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| Canonical SMILES |
CN(Cc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1)C(=O)CN
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| InChI |
InChI=1S/C23H23ClN6O3/c1-29(19(31)11-25)12-14-2-7-17(18(24)10-14)15-3-5-16(6-4-15)30-8-9-33-22-20(23(30)32)21(26)27-13-28-22/h2-7,10,13H,8-9,11-12,25H2,1H3,(H2,26,27,28)
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| InChIKey |
UVOBYROMONSXFN-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