General Information of the Compound
| Compound ID |
CP0485432
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| Compound Name |
N-(3-methoxyphenyl)-7-(3-methylpyridin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
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| Formula |
C23H23N3O3
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| Molecular Weight |
389.455
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| Canonical SMILES |
COc1cccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2C)c1
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| InChI |
InChI=1S/C23H23N3O3/c1-16-14-24-9-8-21(16)17-6-7-22-18(12-17)15-26(10-11-29-22)23(27)25-19-4-3-5-20(13-19)28-2/h3-9,12-14H,10-11,15H2,1-2H3,(H,25,27)
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| InChIKey |
ZWGJSFORKCINJR-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