General Information of the Compound
| Compound ID |
CP0856415
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| Compound Name |
N-(3-Methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine hydrochloride
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| Structure |
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| Formula |
C20H29ClN6O
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| Molecular Weight |
404.946
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| Canonical SMILES |
COc1cccc(Nc2nc(N3CCN(C)CC3)nc3c2CCNCC3)c1.Cl
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| InChI |
InChI=1S/C20H28N6O.ClH/c1-25-10-12-26(13-11-25)20-23-18-7-9-21-8-6-17(18)19(24-20)22-15-4-3-5-16(14-15)27-2;/h3-5,14,21H,6-13H2,1-2H3,(H,22,23,24);1H
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| InChIKey |
LOTVCVLYAPIQKE-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: PT00939, 5-hydroxytryptamine receptor 2C