General Information of the Compound
| Compound ID |
CP0001212
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| Compound Name |
1-(2-methoxyphenyl)-4-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine
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| Structure |
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| Formula |
C23H29N5OS
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| Molecular Weight |
423.586
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
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| InChI |
InChI=1S/C23H29N5OS/c1-26-22(19-9-4-3-5-10-19)24-25-23(26)30-18-8-13-27-14-16-28(17-15-27)20-11-6-7-12-21(20)29-2/h3-7,9-12H,8,13-18H2,1-2H3
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| InChIKey |
RRTCFJGKAMKAIY-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor