General Information of the Compound
| Compound ID |
CP0886026
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| Compound Name |
Trans-6-chloro-8-ethyl-4-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-one hydrochloride
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| Structure |
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| Formula |
C14H18Cl2N2O
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| Molecular Weight |
301.217
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| Canonical SMILES |
CCc1cc(Cl)c2c(c1)[C@H]1CNC[C@@H]1N(C)C2=O.Cl
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| InChI |
InChI=1S/C14H17ClN2O.ClH/c1-3-8-4-9-10-6-16-7-12(10)17(2)14(18)13(9)11(15)5-8;/h4-5,10,12,16H,3,6-7H2,1-2H3;1H/t10-,12+;/m1./s1
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| InChIKey |
SPUFPAWPFKPQSW-IYJPBCIQSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C