General Information of the Compound
| Compound ID |
CP0864126
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| Compound Name |
(3aR,9bS)-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 |
C11H13ClN2O
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| Molecular Weight |
224.691
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| Canonical SMILES |
Cl.O=C1N[C@H]2CNC[C@@H]2c2ccccc21
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| InChI |
InChI=1S/C11H12N2O.ClH/c14-11-8-4-2-1-3-7(8)9-5-12-6-10(9)13-11;/h1-4,9-10,12H,5-6H2,(H,13,14);1H/t9-,10+;/m1./s1
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| InChIKey |
QEYATYWUPMRWQP-UXQCFNEQSA-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