General Information of the Compound
| Compound ID |
CP0920914
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| Compound Name |
4-amino-6-(4-(3-chloropyridin-2-yl)phenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-one
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| Structure |
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| Formula |
C18H14ClN5O2
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| Molecular Weight |
367.796
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| Canonical SMILES |
Nc1ncnc2c1C(=O)N(c1ccc(-c3ncccc3Cl)cc1)CCO2
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| InChI |
InChI=1S/C18H14ClN5O2/c19-13-2-1-7-21-15(13)11-3-5-12(6-4-11)24-8-9-26-17-14(18(24)25)16(20)22-10-23-17/h1-7,10H,8-9H2,(H2,20,22,23)
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| InChIKey |
QTQJHHORTFZVRP-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