General Information of the Compound
| Compound ID |
CP0432125
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| Compound Name |
(3aS,9bS)-8-bromo-5-(4-bromophenyl)-3a-methyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline
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| Structure |
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| Formula |
C18H18Br2N2
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| Molecular Weight |
422.164
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| Canonical SMILES |
C[C@@]12CN(c3ccc(Br)cc3)c3ccc(Br)cc3[C@@H]1CCN2
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| InChI |
InChI=1S/C18H18Br2N2/c1-18-11-22(14-5-2-12(19)3-6-14)17-7-4-13(20)10-15(17)16(18)8-9-21-18/h2-7,10,16,21H,8-9,11H2,1H3/t16-,18+/m0/s1
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| InChIKey |
PDEWFHSOYCUZAW-FUHWJXTLSA-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: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1