General Information of the Compound
| Compound ID |
CP0653272
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| Compound Name |
4-(Dimethylamino)-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 |
C27H37FN4O6
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| Molecular Weight |
532.613
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| Canonical SMILES |
CN(C)c1ccc(C(=O)NCCCCN2CCN(c3ccccc3OCCF)CC2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H35FN4O2.C2H2O4/c1-28(2)22-11-9-21(10-12-22)25(31)27-14-5-6-15-29-16-18-30(19-17-29)23-7-3-4-8-24(23)32-20-13-26;3-1(4)2(5)6/h3-4,7-12H,5-6,13-20H2,1-2H3,(H,27,31);(H,3,4)(H,5,6)
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| InChIKey |
TYHCASABEDBECB-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