General Information of the Compound
| Compound ID |
CP0861000
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| Compound Name |
1-(1-(Benzo[b]thiophen-3-ylmethyl)piperidin-4-yl)-1Hbenzo[d]imidazol-2-(3H)-one oxalate
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| Structure |
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| Formula |
C23H23N3O5S
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| Molecular Weight |
453.52
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| Canonical SMILES |
O=C(O)C(=O)O.O=c1[nH]c2ccccc2n1C1CCN(Cc2csc3ccccc23)CC1
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| InChI |
InChI=1S/C21H21N3OS.C2H2O4/c25-21-22-18-6-2-3-7-19(18)24(21)16-9-11-23(12-10-16)13-15-14-26-20-8-4-1-5-17(15)20;3-1(4)2(5)6/h1-8,14,16H,9-13H2,(H,22,25);(H,3,4)(H,5,6)
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| InChIKey |
JIUOSOXBRNQFBW-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