General Information of the Compound
| Compound ID |
CP0397262
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| Compound Name |
4-amino-6-[4-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]phenyl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
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| Structure |
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| Formula |
C22H22N6O4
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| Molecular Weight |
434.456
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| Canonical SMILES |
Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)c3ccon3)C(=O)c12
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| InChI |
InChI=1S/C22H22N6O4/c23-19-18-20(25-13-24-19)31-12-10-28(22(18)30)16-3-1-14(2-4-16)15-5-8-27(9-6-15)21(29)17-7-11-32-26-17/h1-4,7,11,13,15H,5-6,8-10,12H2,(H2,23,24,25)
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| InChIKey |
OENHWYBGPDYEHF-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