General Information of the Compound
| Compound ID |
CP0895107
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| Compound Name |
1-Benzhydryl-4-[4-(3-styryl-isoxazol-5-yl)-butyl]-piperazine hydrochloride
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| Structure |
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| Formula |
C32H36ClN3O
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| Molecular Weight |
514.113
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| Canonical SMILES |
C(=C/c1cc(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)on1)\c1ccccc1.Cl
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| InChI |
InChI=1S/C32H35N3O.ClH/c1-4-12-27(13-5-1)19-20-30-26-31(36-33-30)18-10-11-21-34-22-24-35(25-23-34)32(28-14-6-2-7-15-28)29-16-8-3-9-17-29;/h1-9,12-17,19-20,26,32H,10-11,18,21-25H2;1H/b20-19+;
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| InChIKey |
PZPTVQNVGDIBHE-RZLHGTIFSA-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