General Information of the Compound
| Compound ID |
CP0466145
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| Compound Name |
N-(3-methoxyphenyl)-7-quinolin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
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| Formula |
C26H23N3O3
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| Molecular Weight |
425.488
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| Canonical SMILES |
COc1cccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccnc3ccccc23)c1
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| InChI |
InChI=1S/C26H23N3O3/c1-31-21-6-4-5-20(16-21)28-26(30)29-13-14-32-25-10-9-18(15-19(25)17-29)22-11-12-27-24-8-3-2-7-23(22)24/h2-12,15-16H,13-14,17H2,1H3,(H,28,30)
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| InChIKey |
PZXMEJPBRRTTSF-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