General Information of the Compound
| Compound ID |
CP0183951
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| Compound Name |
1-benzyl-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5-methyltriazole-4-carboxamide
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| Structure |
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| Formula |
C25H30Cl2N6O
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| Molecular Weight |
501.462
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| Canonical SMILES |
Cc1c(nnn1Cc1ccccc1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C25H30Cl2N6O/c1-19-24(29-30-33(19)18-20-8-3-2-4-9-20)25(34)28-12-5-6-13-31-14-16-32(17-15-31)22-11-7-10-21(26)23(22)27/h2-4,7-11H,5-6,12-18H2,1H3,(H,28,34)
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| InChIKey |
AARWRAFDYZSYPD-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