General Information of the Compound
| Compound ID |
CP0397270
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| Compound Name |
4-amino-6-[4-[1-(1,2,5-oxadiazole-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 |
C21H21N7O4
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| Molecular Weight |
435.444
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| Canonical SMILES |
Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)c3cnon3)C(=O)c12
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| InChI |
InChI=1S/C21H21N7O4/c22-18-17-19(24-12-23-18)31-10-9-28(21(17)30)15-3-1-13(2-4-15)14-5-7-27(8-6-14)20(29)16-11-25-32-26-16/h1-4,11-12,14H,5-10H2,(H2,22,23,24)
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| InChIKey |
VQXTZAVCMXRPAS-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