General Information of the Compound
| Compound ID |
CP0853707
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| Compound Name |
(3aR,9bS)-4-methyl-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 |
C13H14ClF3N2O
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| Molecular Weight |
306.715
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| Canonical SMILES |
CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CNC[C@@H]21.Cl
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| InChI |
InChI=1S/C13H13F3N2O.ClH/c1-18-10-6-17-5-8(10)7-3-2-4-9(13(14,15)16)11(7)12(18)19;/h2-4,8,10,17H,5-6H2,1H3;1H/t8-,10+;/m1./s1
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| InChIKey |
SGJOLVLEAQVGFB-SCYNACPDSA-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