General Information of the Compound
| Compound ID |
CP0861747
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| Compound Name |
4-(2-Benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)thiomorpholine hydrochloride
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| Structure |
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| Formula |
C19H25ClN4S
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| Molecular Weight |
376.957
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| Canonical SMILES |
Cl.c1ccc(Cc2nc3c(c(N4CCSCC4)n2)CCNCC3)cc1
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| InChI |
InChI=1S/C19H24N4S.ClH/c1-2-4-15(5-3-1)14-18-21-17-7-9-20-8-6-16(17)19(22-18)23-10-12-24-13-11-23;/h1-5,20H,6-14H2;1H
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| InChIKey |
UQDVXBNWEDIKNY-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