General Information of the Compound
| Compound ID |
CP0426382
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| Compound Name |
(3aS,9bS)-3a,7,9-trimethyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
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| Structure |
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| Formula |
C14H19NO
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| Molecular Weight |
217.312
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| Canonical SMILES |
Cc1cc(C)c2[C@@H]3CCN[C@]3(C)COc2c1
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| InChI |
InChI=1S/C14H19NO/c1-9-6-10(2)13-11-4-5-15-14(11,3)8-16-12(13)7-9/h6-7,11,15H,4-5,8H2,1-3H3/t11-,14+/m0/s1
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| InChIKey |
SXDNKQKMHDBAAG-SMDDNHRTSA-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