General Information of the Compound
| Compound ID |
CP0785530
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| Compound Name |
4-(2-Fluoroethoxy)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt
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| Structure |
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| Formula |
C27H35F2N3O7
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| Molecular Weight |
551.587
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| Canonical SMILES |
O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H33F2N3O3.C2H2O4/c26-11-19-32-22-9-7-21(8-10-22)25(31)28-13-3-4-14-29-15-17-30(18-16-29)23-5-1-2-6-24(23)33-20-12-27;3-1(4)2(5)6/h1-2,5-10H,3-4,11-20H2,(H,28,31);(H,3,4)(H,5,6)
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| InChIKey |
RTYGHICJPBYBFY-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