General Information of the Compound
| Compound ID |
CP0850855
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| Compound Name |
Trans-8-ethyl-6-(trifluoromethyl)-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 |
C14H16ClF3N2O
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| Molecular Weight |
320.742
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| Canonical SMILES |
CCc1cc2c(c(C(F)(F)F)c1)C(=O)N[C@H]1CNC[C@H]21.Cl
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| InChI |
InChI=1S/C14H15F3N2O.ClH/c1-2-7-3-8-9-5-18-6-11(9)19-13(20)12(8)10(4-7)14(15,16)17;/h3-4,9,11,18H,2,5-6H2,1H3,(H,19,20);1H/t9-,11+;/m1./s1
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| InChIKey |
LJYMJLUSCQDYLK-XQKZEKTMSA-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