General Information of the Compound
| Compound ID |
CP0466987
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| Compound Name |
(5aR)-9-fluoro-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 |
C13H17FN2
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| Molecular Weight |
220.291
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| Canonical SMILES |
Fc1ccc2N3CCCNC[C@H]3CCc2c1
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| InChI |
InChI=1S/C13H17FN2/c14-11-3-5-13-10(8-11)2-4-12-9-15-6-1-7-16(12)13/h3,5,8,12,15H,1-2,4,6-7,9H2/t12-/m1/s1
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| InChIKey |
PNRLOQPCRUSVQP-GFCCVEGCSA-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