General Information of the Compound
| Compound ID |
CP0426405
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| Compound Name |
(3aS,9bS)-3a,8-dimethyl-5-(4-methylphenyl)-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline
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| Structure |
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| Formula |
C20H24N2
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| Molecular Weight |
292.426
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| Canonical SMILES |
Cc1ccc(cc1)N1C[C@@]2(C)NCC[C@H]2c2cc(C)ccc12
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| InChI |
InChI=1S/C20H24N2/c1-14-4-7-16(8-5-14)22-13-20(3)18(10-11-21-20)17-12-15(2)6-9-19(17)22/h4-9,12,18,21H,10-11,13H2,1-3H3/t18-,20+/m0/s1
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| InChIKey |
QXRFTZSLKJIIFB-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: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1