General Information of the Compound
| Compound ID |
CP0453498
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| Compound Name |
3-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-2-phenyl-1H-indole
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| Structure |
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| Formula |
C22H26N2O
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| Molecular Weight |
334.463
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| Canonical SMILES |
COC[C@@H]1CCCN1CCc1c([nH]c2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C22H26N2O/c1-25-16-18-10-7-14-24(18)15-13-20-19-11-5-6-12-21(19)23-22(20)17-8-3-2-4-9-17/h2-6,8-9,11-12,18,23H,7,10,13-16H2,1H3/t18-/m0/s1
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| InChIKey |
YHEZQOSUVDWMEX-SFHVURJKSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01005, D(2) dopamine receptor