General Information of the Compound
| Compound ID |
CP0402050
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| Compound Name |
6-Methyl-1,2,3,4,8,9,10,11-octahydro-[1,4]diazepino[6,7,1-jk]carbazole
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| Structure |
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| Formula |
C16H20N2
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| Molecular Weight |
240.35
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| Canonical SMILES |
Cc1cc2CNCCn3c4CCCCc4c(c1)c23
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| InChI |
InChI=1S/C16H20N2/c1-11-8-12-10-17-6-7-18-15-5-3-2-4-13(15)14(9-11)16(12)18/h8-9,17H,2-7,10H2,1H3
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| InChIKey |
JOOZQMAAEHQNSP-UHFFFAOYSA-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: PT00939, 5-hydroxytryptamine receptor 2C