General Information of the Compound
| Compound ID |
CP0234092
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
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| Structure |
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| Formula |
C24H28Cl2N6O2
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| Molecular Weight |
503.434
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| Canonical SMILES |
COc1ccc(cc1)-n1cc(nn1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C24H28Cl2N6O2/c1-34-19-9-7-18(8-10-19)32-17-21(28-29-32)24(33)27-11-2-3-12-30-13-15-31(16-14-30)22-6-4-5-20(25)23(22)26/h4-10,17H,2-3,11-16H2,1H3,(H,27,33)
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| InChIKey |
UQQZLMXUYGQJIW-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