General Information of the Compound
| Compound ID |
CP0086686
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-[1-(4-methoxyphenyl)triazol-4-yl]butanamide
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| Structure |
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| Formula |
C27H34Cl2N6O2
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| Molecular Weight |
545.515
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| Canonical SMILES |
COc1ccc(cc1)-n1cc(CCCC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)nn1
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| InChI |
InChI=1S/C27H34Cl2N6O2/c1-37-23-12-10-22(11-13-23)35-20-21(31-32-35)6-4-9-26(36)30-14-2-3-15-33-16-18-34(19-17-33)25-8-5-7-24(28)27(25)29/h5,7-8,10-13,20H,2-4,6,9,14-19H2,1H3,(H,30,36)
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| InChIKey |
POZXHKGYVSZVAB-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