General Information of the Compound
| Compound ID |
CP0416904
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| Compound Name |
2-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C22H23F3N2O2
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| Molecular Weight |
404.432
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| Canonical SMILES |
FC(F)(F)Oc1cccc(c1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
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| InChI |
InChI=1S/C22H23F3N2O2/c23-22(24,25)29-19-5-3-4-16(15-19)17-6-7-20-18(14-17)8-11-27(21(20)28)13-12-26-9-1-2-10-26/h3-7,14-15H,1-2,8-13H2
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| InChIKey |
YFURTEYAEPSLFX-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