General Information of the Compound
| Compound ID |
CP0876336
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| Compound Name |
4-Amino-6-(2'-chloro-4'-(hydroxymethyl)biphenyl-4-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-one
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| Structure |
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| Formula |
C20H17ClN4O3
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| Molecular Weight |
396.834
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| Canonical SMILES |
Nc1ncnc2c1C(=O)N(c1ccc(-c3ccc(CO)cc3Cl)cc1)CCO2
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| InChI |
InChI=1S/C20H17ClN4O3/c21-16-9-12(10-26)1-6-15(16)13-2-4-14(5-3-13)25-7-8-28-19-17(20(25)27)18(22)23-11-24-19/h1-6,9,11,26H,7-8,10H2,(H2,22,23,24)
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| InChIKey |
JFMBLAABMHGIPC-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