General Information of the Compound
| Compound ID |
CP0408304
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| Compound Name |
(5aR)-8-benzyl-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 |
C20H23FN2
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| Molecular Weight |
310.416
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| Canonical SMILES |
Fc1ccc2N3CCCNC[C@H]3CCc2c1Cc1ccccc1
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| InChI |
InChI=1S/C20H23FN2/c21-19-9-10-20-17(18(19)13-15-5-2-1-3-6-15)8-7-16-14-22-11-4-12-23(16)20/h1-3,5-6,9-10,16,22H,4,7-8,11-14H2/t16-/m1/s1
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| InChIKey |
HQVLVCSWADKTFR-MRXNPFEDSA-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