General Information of the Compound
| Compound ID |
CP0426384
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| Compound Name |
(3aS,9bS)-6-bromo-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
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| Structure |
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| Formula |
C12H14BrNO
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| Molecular Weight |
268.154
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| Canonical SMILES |
C[C@@]12COc3c(Br)cccc3[C@@H]1CCN2
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| InChI |
InChI=1S/C12H14BrNO/c1-12-7-15-11-8(3-2-4-10(11)13)9(12)5-6-14-12/h2-4,9,14H,5-7H2,1H3/t9-,12+/m0/s1
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| InChIKey |
GKALLXNUCAXRAR-JOYOIKCWSA-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