General Information of the Compound
| Compound ID |
CP0946362
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| Compound Name |
4-(2-(4-Methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholine hydrochloride
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| Structure |
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| Formula |
C17H29ClN6O
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| Molecular Weight |
368.913
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| Canonical SMILES |
CN1CCN(c2nc3c(c(N4CCOCC4)n2)CCNCC3)CC1.Cl
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| InChI |
InChI=1S/C17H28N6O.ClH/c1-21-6-8-23(9-7-21)17-19-15-3-5-18-4-2-14(15)16(20-17)22-10-12-24-13-11-22;/h18H,2-13H2,1H3;1H
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| InChIKey |
SVVZYBWVGARFJK-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