General Information of the Compound
| Compound ID |
CP0461680
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| Compound Name |
6-(3-fluorophenyl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C21H23FN2O
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| Molecular Weight |
338.426
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| Canonical SMILES |
Fc1cccc(c1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
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| InChI |
InChI=1S/C21H23FN2O/c22-19-5-3-4-16(15-19)17-6-7-20-18(14-17)8-11-24(21(20)25)13-12-23-9-1-2-10-23/h3-7,14-15H,1-2,8-13H2
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| InChIKey |
WLSIIBHMNYNDNS-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor