General Information of the Compound
| Compound ID |
CP0900199
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| Compound Name |
1-Benzhydryl-4-{4-[3-(4-fluoro-phenyl)-isoxazol-5-yl]-butyl}-piperazine hydrochloride
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| Structure |
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| Formula |
C30H33ClFN3O
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| Molecular Weight |
506.065
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| Canonical SMILES |
Cl.Fc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1
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| InChI |
InChI=1S/C30H32FN3O.ClH/c31-27-16-14-24(15-17-27)29-23-28(35-32-29)13-7-8-18-33-19-21-34(22-20-33)30(25-9-3-1-4-10-25)26-11-5-2-6-12-26;/h1-6,9-12,14-17,23,30H,7-8,13,18-22H2;1H
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| InChIKey |
SGSGJMXCDBEXCJ-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