General Information of the Compound
| Compound ID |
CP0171883
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| Compound Name |
1-[(2-bromophenyl)methyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
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| Structure |
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| Formula |
C28H37BrN6O2
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| Molecular Weight |
569.548
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| Canonical SMILES |
CCCc1c(nnn1Cc1ccccc1Br)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C28H37BrN6O2/c1-3-10-25-27(31-32-35(25)21-22-11-4-5-12-23(22)29)28(36)30-15-8-9-16-33-17-19-34(20-18-33)24-13-6-7-14-26(24)37-2/h4-7,11-14H,3,8-10,15-21H2,1-2H3,(H,30,36)
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| InChIKey |
OCLIVVKGXAOVNC-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