General Information of the Compound
| Compound ID |
CP0456700
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| Compound Name |
(5S)-5-methyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
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| Structure |
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| Formula |
C12H14F3N
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| Molecular Weight |
229.245
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| Canonical SMILES |
C[C@@H]1CNCCc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C12H14F3N/c1-8-7-16-5-4-9-2-3-10(6-11(8)9)12(13,14)15/h2-3,6,8,16H,4-5,7H2,1H3/t8-/m1/s1
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| InChIKey |
GBYLNYMTYZRQLE-MRVPVSSYSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C