General Information of the Compound
| Compound ID |
CP0421601
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| Compound Name |
N-(3-methoxyphenyl)-N-methyl-7-pyridin-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(c1)N(C)C(=O)N1CCOc2ccc(cc2C1)-c1ccncc1
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| InChI |
InChI=1S/C23H23N3O3/c1-25(20-4-3-5-21(15-20)28-2)23(27)26-12-13-29-22-7-6-18(14-19(22)16-26)17-8-10-24-11-9-17/h3-11,14-15H,12-13,16H2,1-2H3
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| InChIKey |
YKSNUQNFEPMXPI-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