General Information of the Compound
| Compound ID |
CP0426378
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| Compound Name |
(3aS,9bS)-3,3a-dimethyl-6-phenyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrole
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| Structure |
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| Formula |
C19H21NO
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| Molecular Weight |
279.383
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| Canonical SMILES |
CN1CC[C@H]2c3cccc(-c4ccccc4)c3OC[C@@]12C
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| InChI |
InChI=1S/C19H21NO/c1-19-13-21-18-15(14-7-4-3-5-8-14)9-6-10-16(18)17(19)11-12-20(19)2/h3-10,17H,11-13H2,1-2H3/t17-,19+/m0/s1
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| InChIKey |
HTWKRBASUILJNN-PKOBYXMFSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1