General Information of the Compound
| Compound ID |
CP0171884
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| Compound Name |
1-[(2-bromophenyl)methyl]-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-5-methyltriazole-4-carboxamide
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| Structure |
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| Formula |
C27H35BrN6O2
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| Molecular Weight |
555.521
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1
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| InChI |
InChI=1S/C27H35BrN6O2/c1-21-26(30-31-34(21)20-22-10-4-5-11-23(22)28)27(35)29-14-8-3-9-15-32-16-18-33(19-17-32)24-12-6-7-13-25(24)36-2/h4-7,10-13H,3,8-9,14-20H2,1-2H3,(H,29,35)
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| InChIKey |
GTVPXEVAFBWKHY-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor