General Information of the Compound
| Compound ID |
CP0421595
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| Compound Name |
N-(3,4-dichlorophenyl)-8-pyridin-4-yl-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
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| Formula |
C22H19Cl2N3O
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| Molecular Weight |
412.32
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| Canonical SMILES |
Clc1ccc(NC(=O)N2CCCc3ccc(cc3C2)-c2ccncc2)cc1Cl
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| InChI |
InChI=1S/C22H19Cl2N3O/c23-20-6-5-19(13-21(20)24)26-22(28)27-11-1-2-15-3-4-17(12-18(15)14-27)16-7-9-25-10-8-16/h3-10,12-13H,1-2,11,14H2,(H,26,28)
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| InChIKey |
BQLJZYASLALFQE-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