General Information of the Compound
| Compound ID |
CP0962037
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| Compound Name |
4-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-methylbutanamide
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| Structure |
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| Formula |
C25H27ClN6O3
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| Molecular Weight |
494.983
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| Canonical SMILES |
CN(Cc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1)C(=O)CCCN
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| InChI |
InChI=1S/C25H27ClN6O3/c1-31(21(33)3-2-10-27)14-16-4-9-19(20(26)13-16)17-5-7-18(8-6-17)32-11-12-35-24-22(25(32)34)23(28)29-15-30-24/h4-9,13,15H,2-3,10-12,14,27H2,1H3,(H2,28,29,30)
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| InChIKey |
SNMPOOWTUXPFEX-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