General Information of the Compound
| Compound ID |
CP0857943
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| Compound Name |
4-(furan-2-ylmethoxy)-2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine hydrochloride
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| Structure |
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| Formula |
C18H26ClN5O2
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| Molecular Weight |
379.892
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| Canonical SMILES |
CN1CCN(c2nc3c(c(OCc4ccco4)n2)CCNCC3)CC1.Cl
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| InChI |
InChI=1S/C18H25N5O2.ClH/c1-22-8-10-23(11-9-22)18-20-16-5-7-19-6-4-15(16)17(21-18)25-13-14-3-2-12-24-14;/h2-3,12,19H,4-11,13H2,1H3;1H
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| InChIKey |
JUFLGKJAKRLTCN-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