General Information of the Compound
| Compound ID |
CP0919957
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| Compound Name |
N-(4-Fluorophenyl)-7-methyl-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 |
C20H28ClFN6
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| Molecular Weight |
406.937
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| Canonical SMILES |
CN1CCc2nc(N3CCN(C)CC3)nc(Nc3ccc(F)cc3)c2CC1.Cl
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| InChI |
InChI=1S/C20H27FN6.ClH/c1-25-9-7-17-18(8-10-25)23-20(27-13-11-26(2)12-14-27)24-19(17)22-16-5-3-15(21)4-6-16;/h3-6H,7-14H2,1-2H3,(H,22,23,24);1H
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| InChIKey |
HMIHHQSBWPMEEL-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