General Information of the Compound
| Compound ID |
CP0530848
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| Compound Name |
(5aR)-9-benzyl-10-methoxy-1,2,3,4,5,5a,6,7-octahydro-[1,4]diazepino[1,2-a]quinoline
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| Structure |
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| Formula |
C21H26N2O
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| Molecular Weight |
322.452
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| Canonical SMILES |
COc1cc2N3CCCNC[C@H]3CCc2cc1Cc1ccccc1
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| InChI |
InChI=1S/C21H26N2O/c1-24-21-14-20-17(8-9-19-15-22-10-5-11-23(19)20)13-18(21)12-16-6-3-2-4-7-16/h2-4,6-7,13-14,19,22H,5,8-12,15H2,1H3/t19-/m1/s1
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| InChIKey |
JBGWELFZOGOSPC-LJQANCHMSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C