General Information of the Compound
| Compound ID |
CP0432102
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| Compound Name |
1-[(3aS,9bS)-3a-methyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinolin-3-yl]ethanone
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| Structure |
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| Formula |
C20H22N2O
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| Molecular Weight |
306.409
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| Canonical SMILES |
CC(=O)N1CC[C@H]2c3ccccc3N(C[C@@]12C)c1ccccc1
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| InChI |
InChI=1S/C20H22N2O/c1-15(23)22-13-12-18-17-10-6-7-11-19(17)21(14-20(18,22)2)16-8-4-3-5-9-16/h3-11,18H,12-14H2,1-2H3/t18-,20+/m0/s1
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| InChIKey |
NLHAPFNRLLWFGD-AZUAARDMSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1