General Information of the Compound
| Compound ID |
CP0899360
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| Compound Name |
1-{4-[3-(3,4-Dimethoxy-phenyl)-isoxazol-5-yl]-butyl}-4-(2-ethoxy-phenyl)-piperazine hydrochloride
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| Structure |
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| Formula |
C27H36ClN3O4
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| Molecular Weight |
502.055
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| Canonical SMILES |
CCOc1ccccc1N1CCN(CCCCc2cc(-c3ccc(OC)c(OC)c3)no2)CC1.Cl
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| InChI |
InChI=1S/C27H35N3O4.ClH/c1-4-33-25-11-6-5-10-24(25)30-17-15-29(16-18-30)14-8-7-9-22-20-23(28-34-22)21-12-13-26(31-2)27(19-21)32-3;/h5-6,10-13,19-20H,4,7-9,14-18H2,1-3H3;1H
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| InChIKey |
CMJPGSUXCUIISZ-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