General Information of the Compound
| Compound ID |
CP0372249
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| Compound Name |
4-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
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| Structure |
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| Formula |
C21H19F2N3
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| Molecular Weight |
351.4
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| Canonical SMILES |
Fc1ccc(Cc2nc3CCNCCc3c(n2)-c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C21H19F2N3/c22-16-5-1-14(2-6-16)13-20-25-19-10-12-24-11-9-18(19)21(26-20)15-3-7-17(23)8-4-15/h1-8,24H,9-13H2
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| InChIKey |
RCRKYHCZNIGMKD-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