General Information of the Compound
| Compound ID |
CP0850852
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| Compound Name |
(3aS,9bR)-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 |
C12H12ClF3N2O
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| Molecular Weight |
292.688
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| Canonical SMILES |
Cl.O=C1N[C@@H]2CNC[C@H]2c2cccc(C(F)(F)F)c21
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| InChI |
InChI=1S/C12H11F3N2O.ClH/c13-12(14,15)8-3-1-2-6-7-4-16-5-9(7)17-11(18)10(6)8;/h1-3,7,9,16H,4-5H2,(H,17,18);1H/t7-,9+;/m0./s1
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| InChIKey |
UTJBWKFHAQHTJG-DKXTVVGFSA-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