General Information of the Compound
| Compound ID |
CP0171885
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| Compound Name |
1-benzyl-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
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| Structure |
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| Formula |
C27H34Cl2N6O
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| Molecular Weight |
529.516
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| Canonical SMILES |
CCCc1c(nnn1Cc1ccccc1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C27H34Cl2N6O/c1-2-9-24-26(31-32-35(24)20-21-10-4-3-5-11-21)27(36)30-14-6-7-15-33-16-18-34(19-17-33)23-13-8-12-22(28)25(23)29/h3-5,8,10-13H,2,6-7,9,14-20H2,1H3,(H,30,36)
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| InChIKey |
HEKOGNYDDZRAAJ-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