General Information of the Compound
| Compound ID |
CP0421602
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| Compound Name |
N-(3-phenoxyphenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
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| Formula |
C27H23N3O3
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| Molecular Weight |
437.499
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| Canonical SMILES |
O=C(Nc1cccc(Oc2ccccc2)c1)N1CCOc2ccc(cc2C1)-c1ccncc1
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| InChI |
InChI=1S/C27H23N3O3/c31-27(29-23-5-4-8-25(18-23)33-24-6-2-1-3-7-24)30-15-16-32-26-10-9-21(17-22(26)19-30)20-11-13-28-14-12-20/h1-14,17-18H,15-16,19H2,(H,29,31)
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| InChIKey |
WYIJQVYRDZGFGZ-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