General Information of the Compound
| Compound ID |
CP0300950
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| Compound Name |
3-Fluoro-5-(2-(pyridin-2-yl)-7,8-dihydro-4H-oxazolo[4,5-c]azepin-5(6H)-yl)benzonitrile
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| Structure |
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| Formula |
C19H15FN4O
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| Molecular Weight |
334.354
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| Canonical SMILES |
Fc1cc(cc(c1)N1CCCc2oc(nc2C1)-c1ccccn1)C#N
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| InChI |
InChI=1S/C19H15FN4O/c20-14-8-13(11-21)9-15(10-14)24-7-3-5-18-17(12-24)23-19(25-18)16-4-1-2-6-22-16/h1-2,4,6,8-10H,3,5,7,12H2
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| InChIKey |
LSFHNIREHLCBIC-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