General Information of the Compound
| Compound ID |
CP0383998
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| Compound Name |
2-benzyl-4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine
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| Structure |
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| Formula |
C21H20FN3
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| Molecular Weight |
333.41
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| Canonical SMILES |
Fc1ccc(cc1)-c1nc(Cc2ccccc2)nc2CNCCCc12
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| InChI |
InChI=1S/C21H20FN3/c22-17-10-8-16(9-11-17)21-18-7-4-12-23-14-19(18)24-20(25-21)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,23H,4,7,12-14H2
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| InChIKey |
AJBWPHMWHDLIKZ-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