General Information of the Compound
| Compound ID |
CP0421603
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| Compound Name |
N-(3-cyanophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
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| Formula |
C22H18N4O2
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| Molecular Weight |
370.412
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| Canonical SMILES |
O=C(Nc1cccc(c1)C#N)N1CCOc2ccc(cc2C1)-c1ccncc1
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| InChI |
InChI=1S/C22H18N4O2/c23-14-16-2-1-3-20(12-16)25-22(27)26-10-11-28-21-5-4-18(13-19(21)15-26)17-6-8-24-9-7-17/h1-9,12-13H,10-11,15H2,(H,25,27)
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| InChIKey |
ZMKWHQJUHAUIFS-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
Protein ID: PT03750, Probable G-protein coupled receptor 142
Protein ID: PT06102, Probable G-protein coupled receptor 142