General Information of the Compound
| Compound ID |
CP0400385
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| Compound Name |
5-[4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]triazol-1-yl]-1H-indole
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| Structure |
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| Formula |
C24H26Cl2N6
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| Molecular Weight |
469.42
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCc3cn(nn3)-c3ccc4[nH]ccc4c3)CC2)c1Cl
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| InChI |
InChI=1S/C24H26Cl2N6/c25-21-5-3-6-23(24(21)26)31-14-12-30(13-15-31)11-2-1-4-19-17-32(29-28-19)20-7-8-22-18(16-20)9-10-27-22/h3,5-10,16-17,27H,1-2,4,11-15H2
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| InChIKey |
MMWBGBOMWXSDFR-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor