General Information of the Compound
| Compound ID |
CP0927947
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| Compound Name |
1-(Benzo[b]thiophen-2-ylmethyl)-4-(4-bromophenyl)-piperidin-4-ol oxalate
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| Structure |
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| Formula |
C22H23NO5S
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| Molecular Weight |
413.495
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| Canonical SMILES |
O=C(O)C(=O)O.OC1(c2ccccc2)CCN(Cc2cc3ccccc3s2)CC1
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| InChI |
InChI=1S/C20H21NOS.C2H2O4/c22-20(17-7-2-1-3-8-17)10-12-21(13-11-20)15-18-14-16-6-4-5-9-19(16)23-18;3-1(4)2(5)6/h1-9,14,22H,10-13,15H2;(H,3,4)(H,5,6)
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| InChIKey |
KNOQKEHHWJZPJL-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