General Information of the Compound
| Compound ID |
CP0925466
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| Compound Name |
4-amino-6-(2'-chloro-4'-(2-(3-hydroxyazetidin-1-yl)-2-oxoethyl)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 |
C24H22ClN5O4
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| Molecular Weight |
479.924
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| Canonical SMILES |
Nc1ncnc2c1C(=O)N(c1ccc(-c3ccc(CC(=O)N4CC(O)C4)cc3Cl)cc1)CCO2
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| InChI |
InChI=1S/C24H22ClN5O4/c25-19-9-14(10-20(32)29-11-17(31)12-29)1-6-18(19)15-2-4-16(5-3-15)30-7-8-34-23-21(24(30)33)22(26)27-13-28-23/h1-6,9,13,17,31H,7-8,10-12H2,(H2,26,27,28)
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| InChIKey |
GZCOFEGWHHMRLC-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