General Information of the Compound
| Compound ID |
CP0673446
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| Compound Name |
2-Benzyl-N-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-4-amine hydrochloride
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| Structure |
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| Formula |
C22H25ClN4O
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| Molecular Weight |
396.922
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| Canonical SMILES |
COc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1.Cl
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| InChI |
InChI=1S/C22H24N4O.ClH/c1-27-18-9-5-8-17(15-18)24-22-19-10-12-23-13-11-20(19)25-21(26-22)14-16-6-3-2-4-7-16;/h2-9,15,23H,10-14H2,1H3,(H,24,25,26);1H
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| InChIKey |
NFVRIUBTRSCFPB-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