General Information of the Compound
| Compound ID |
CP0866564
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| Compound Name |
[3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-(1H-indol-3-yl)methanone
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| Structure |
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| Formula |
C22H23N3O
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| Molecular Weight |
345.446
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| Canonical SMILES |
O=C(c1c[nH]c2ccccc12)N1CCC(N2CCc3ccccc3C2)C1
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| InChI |
InChI=1S/C22H23N3O/c26-22(20-13-23-21-8-4-3-7-19(20)21)25-12-10-18(15-25)24-11-9-16-5-1-2-6-17(16)14-24/h1-8,13,18,23H,9-12,14-15H2
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| InChIKey |
LACZYCKWRKMDPU-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: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1