General Information of the Compound
| Compound ID |
CP0438024
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| Compound Name |
2-(3-(trifluoromethyl)benzyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine
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| Structure |
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| Formula |
C16H16F3N3
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| Molecular Weight |
307.319
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| Canonical SMILES |
FC(F)(F)c1cccc(Cc2ncc3CCNCCc3n2)c1
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| InChI |
InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-15-21-10-12-4-6-20-7-5-14(12)22-15/h1-3,8,10,20H,4-7,9H2
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| InChIKey |
VSAKTLIDVOIELQ-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