General Information of the Compound
| Compound ID |
CP0397259
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| Compound Name |
4-amino-6-[4-[1-(oxane-4-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 |
C24H29N5O4
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| Molecular Weight |
451.527
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| Canonical SMILES |
Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)C3CCOCC3)C(=O)c12
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| InChI |
InChI=1S/C24H29N5O4/c25-21-20-22(27-15-26-21)33-14-11-29(24(20)31)19-3-1-16(2-4-19)17-5-9-28(10-6-17)23(30)18-7-12-32-13-8-18/h1-4,15,17-18H,5-14H2,(H2,25,26,27)
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| InChIKey |
ZPEZPLWJGJFDSY-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