General Information of the Compound
| Compound ID |
CP0904688
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| Compound Name |
4-(4-Bromophenyl)-1-((4-(2-fluoroethoxy)-1H-indol-3-yl)-methyl)piperidin-4-ol oxalate
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| Structure |
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| Formula |
C24H26BrFN2O6
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| Molecular Weight |
537.382
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| Canonical SMILES |
O=C(O)C(=O)O.OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3cccc(OCCF)c23)CC1
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| InChI |
InChI=1S/C22H24BrFN2O2.C2H2O4/c23-18-6-4-17(5-7-18)22(27)8-11-26(12-9-22)15-16-14-25-19-2-1-3-20(21(16)19)28-13-10-24;3-1(4)2(5)6/h1-7,14,25,27H,8-13,15H2;(H,3,4)(H,5,6)
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| InChIKey |
PXUGVMBTUUMPQD-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