General Information of the Compound
| Compound ID |
CP0458247
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| Compound Name |
4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C17H12ClN3O3
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| Molecular Weight |
341.754
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| Canonical SMILES |
Clc1cccc(c1)-c1noc(CN2C(=O)COc3ccccc23)n1
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| InChI |
InChI=1S/C17H12ClN3O3/c18-12-5-3-4-11(8-12)17-19-15(24-20-17)9-21-13-6-1-2-7-14(13)23-10-16(21)22/h1-8H,9-10H2
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| InChIKey |
DKGNVZCCGONMPI-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