General Information of the Compound
| Compound ID |
CP0900185
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| Compound Name |
1-{4-[3-(4-Fluoro-phenyl)-isoxazol-5-yl]-butyl}-4-(2-methoxy-phenyl)-piperazine hydrochloride
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| Structure |
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| Formula |
C24H29ClFN3O2
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| Molecular Weight |
445.966
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCc2cc(-c3ccc(F)cc3)no2)CC1.Cl
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| InChI |
InChI=1S/C24H28FN3O2.ClH/c1-29-24-8-3-2-7-23(24)28-16-14-27(15-17-28)13-5-4-6-21-18-22(26-30-21)19-9-11-20(25)12-10-19;/h2-3,7-12,18H,4-6,13-17H2,1H3;1H
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| InChIKey |
BVUSDRJWCFPRMM-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