General Information of the Compound
| Compound ID |
CP0857936
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| Compound Name |
2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine hydrochloride
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| Structure |
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| Formula |
C13H22ClN5
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| Molecular Weight |
283.807
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| Canonical SMILES |
CN1CCN(c2ncc3c(n2)CCNCC3)CC1.Cl
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| InChI |
InChI=1S/C13H21N5.ClH/c1-17-6-8-18(9-7-17)13-15-10-11-2-4-14-5-3-12(11)16-13;/h10,14H,2-9H2,1H3;1H
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| InChIKey |
ZBNKRTMIDLSEFL-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