General Information of the Compound
| Compound ID |
CP0416905
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| Compound Name |
6-phenyl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C21H24N2O
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| Molecular Weight |
320.436
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| Canonical SMILES |
O=C1N(CCN2CCCC2)CCc2cc(ccc12)-c1ccccc1
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| InChI |
InChI=1S/C21H24N2O/c24-21-20-9-8-18(17-6-2-1-3-7-17)16-19(20)10-13-23(21)15-14-22-11-4-5-12-22/h1-3,6-9,16H,4-5,10-15H2
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| InChIKey |
GSAGTJUQXZNCBN-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