General Information of the Compound
| Compound ID |
CP0497286
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
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| Formula |
C21H17ClFN3O2
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| Molecular Weight |
397.837
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| Canonical SMILES |
Fc1ccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)cc1Cl
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| InChI |
InChI=1S/C21H17ClFN3O2/c22-18-12-17(2-3-19(18)23)25-21(27)26-9-10-28-20-4-1-15(11-16(20)13-26)14-5-7-24-8-6-14/h1-8,11-12H,9-10,13H2,(H,25,27)
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| InChIKey |
IKKOTZMFEYXSSB-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