General Information of the Compound
| Compound ID |
CP0458676
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| Compound Name |
8-(cyclobutylmethyl)-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 |
C18H26N2
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| Molecular Weight |
270.42
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| Canonical SMILES |
C(C1CCC1)c1cccc2N3CCCNCC3CCc12
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| InChI |
InChI=1S/C18H26N2/c1-4-14(5-1)12-15-6-2-7-18-17(15)9-8-16-13-19-10-3-11-20(16)18/h2,6-7,14,16,19H,1,3-5,8-13H2
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| InChIKey |
HAPNHNITJZXTMP-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C