General Information of the Compound
| Compound ID |
CP0486871
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| Compound Name |
7-Methoxy-1-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C13H16F3NO
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| Molecular Weight |
259.271
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| Canonical SMILES |
COc1cc2CCNCC(C)c2cc1C(F)(F)F
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| InChI |
InChI=1S/C13H16F3NO/c1-8-7-17-4-3-9-5-12(18-2)11(6-10(8)9)13(14,15)16/h5-6,8,17H,3-4,7H2,1-2H3
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| InChIKey |
VZPBGKYNLKOIBH-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C