General Information of the Compound
| Compound ID |
CP0434336
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| Compound Name |
(S)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl)propyl)-4-(2-ethoxyphenyl)piperazine
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| Structure |
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| Formula |
C26H35N3O4
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| Molecular Weight |
453.583
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| Canonical SMILES |
CCOc1ccccc1N1CCN(CCC[C@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1
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| InChI |
InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m0/s1
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| InChIKey |
BUSRXNBLQQVZCO-NRFANRHFSA-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