General Information of the Compound
| Compound ID |
CP0857950
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| Compound Name |
N-(4-Fluorophenyl)-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 |
C19H26ClFN6
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| Molecular Weight |
392.91
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| Canonical SMILES |
CN1CCN(c2nc3c(c(Nc4ccc(F)cc4)n2)CCNCC3)CC1.Cl
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| InChI |
InChI=1S/C19H25FN6.ClH/c1-25-10-12-26(13-11-25)19-23-17-7-9-21-8-6-16(17)18(24-19)22-15-4-2-14(20)3-5-15;/h2-5,21H,6-13H2,1H3,(H,22,23,24);1H
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| InChIKey |
TZNYVZOPRMBWFF-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