General Information of the Compound
| Compound ID |
CP0946361
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| Compound Name |
4-Methoxy-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 |
C14H24ClN5O
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| Molecular Weight |
313.833
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| Canonical SMILES |
COc1nc(N2CCN(C)CC2)nc2c1CCNCC2.Cl
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| InChI |
InChI=1S/C14H23N5O.ClH/c1-18-7-9-19(10-8-18)14-16-12-4-6-15-5-3-11(12)13(17-14)20-2;/h15H,3-10H2,1-2H3;1H
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| InChIKey |
XHLBNIKNOBEQPX-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