General Information of the Compound
| Compound ID |
CP0172631
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| Compound Name |
1-[(4-methoxyphenyl)methyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
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| Structure |
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| Formula |
C29H40N6O3
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| Molecular Weight |
520.678
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| Canonical SMILES |
CCCc1c(nnn1Cc1ccc(OC)cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C29H40N6O3/c1-4-9-26-28(31-32-35(26)22-23-12-14-24(37-2)15-13-23)29(36)30-16-7-8-17-33-18-20-34(21-19-33)25-10-5-6-11-27(25)38-3/h5-6,10-15H,4,7-9,16-22H2,1-3H3,(H,30,36)
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| InChIKey |
VNQMWRQYPRIJGM-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