General Information of the Compound
| Compound ID |
CP0421604
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| Compound Name |
N-phenyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
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| Formula |
C21H19N3O2
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| Molecular Weight |
345.402
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| Canonical SMILES |
O=C(Nc1ccccc1)N1CCOc2ccc(cc2C1)-c1ccncc1
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| InChI |
InChI=1S/C21H19N3O2/c25-21(23-19-4-2-1-3-5-19)24-12-13-26-20-7-6-17(14-18(20)15-24)16-8-10-22-11-9-16/h1-11,14H,12-13,15H2,(H,23,25)
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| InChIKey |
UAEFPHNMFTWWBW-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: PT06102, Probable G-protein coupled receptor 142
Protein ID: PT03750, Probable G-protein coupled receptor 142