General Information of the Compound
| Compound ID |
CP0395803
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| Compound Name |
(11aR)-9-chloro-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
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| Structure |
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| Formula |
C12H13ClN2O
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| Molecular Weight |
236.702
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| Canonical SMILES |
Clc1ccc2C(=O)N3CCNC[C@H]3Cc2c1
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| InChI |
InChI=1S/C12H13ClN2O/c13-9-1-2-11-8(5-9)6-10-7-14-3-4-15(10)12(11)16/h1-2,5,10,14H,3-4,6-7H2/t10-/m1/s1
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| InChIKey |
SEPQVNVDUYDVKG-SNVBAGLBSA-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