General Information of the Compound
| Compound ID |
CP0416783
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| Compound Name |
1-benzyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
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| Structure |
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| Formula |
C28H38N6O2
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| Molecular Weight |
490.652
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| Canonical SMILES |
CCCc1c(nnn1Cc1ccccc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C28H38N6O2/c1-3-11-25-27(30-31-34(25)22-23-12-5-4-6-13-23)28(35)29-16-9-10-17-32-18-20-33(21-19-32)24-14-7-8-15-26(24)36-2/h4-8,12-15H,3,9-11,16-22H2,1-2H3,(H,29,35)
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| InChIKey |
UTJCXDMLSWYEJA-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