General Information of the Compound
| Compound ID |
CP0415634
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| Compound Name |
2-phenyl-3-[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
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| Structure |
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| Formula |
C29H30N2
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| Molecular Weight |
406.573
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| Canonical SMILES |
C(Cc1ccccc1)N1[C@H]2CC[C@@H]1CC(C2)c1c([nH]c2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C29H30N2/c1-3-9-21(10-4-1)17-18-31-24-15-16-25(31)20-23(19-24)28-26-13-7-8-14-27(26)30-29(28)22-11-5-2-6-12-22/h1-14,23-25,30H,15-20H2/t23?,24-,25+
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| InChIKey |
QOUVFTQPYVSKEQ-QILAJZQNSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2