General Information of the Compound
| Compound ID |
CP0912200
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| Compound Name |
1-(Benzofuran-2-ylmethyl)-4-(4-iodophenyl)piperidin-4-ol oxalate
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| Structure |
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| Formula |
C22H22INO6
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| Molecular Weight |
523.323
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| Canonical SMILES |
O=C(O)C(=O)O.OC1(c2ccc(I)cc2)CCN(Cc2cc3ccccc3o2)CC1
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| InChI |
InChI=1S/C20H20INO2.C2H2O4/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)14-18-13-15-3-1-2-4-19(15)24-18;3-1(4)2(5)6/h1-8,13,23H,9-12,14H2;(H,3,4)(H,5,6)
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| InChIKey |
BQKOXZDYSHANJE-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