General Information of the Compound
| Compound ID |
CP0724162
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| Compound Name |
2-Benzyl-N-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-4-amine hydrochloride
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| Structure |
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| Formula |
C21H23ClN4
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| Molecular Weight |
366.896
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| Canonical SMILES |
Cl.c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1
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| InChI |
InChI=1S/C21H22N4.ClH/c1-3-7-16(8-4-1)15-20-24-19-12-14-22-13-11-18(19)21(25-20)23-17-9-5-2-6-10-17;/h1-10,22H,11-15H2,(H,23,24,25);1H
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| InChIKey |
IOZJZCVAWDDUQC-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7