General Information of the Compound
| Compound ID |
CP0390733
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| Compound Name |
4-amino-6-[4-[1-(2-ethoxyacetyl)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 |
C22H27N5O4
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| Molecular Weight |
425.489
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| Canonical SMILES |
CCOCC(=O)N1CCC(CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O
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| InChI |
InChI=1S/C22H27N5O4/c1-2-30-13-18(28)26-9-7-16(8-10-26)15-3-5-17(6-4-15)27-11-12-31-21-19(22(27)29)20(23)24-14-25-21/h3-6,14,16H,2,7-13H2,1H3,(H2,23,24,25)
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| InChIKey |
BFJNEFPBTDZETK-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