General Information of the Compound
| Compound ID |
CP0903635
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| Compound Name |
4-(2-Fluoroethyl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)-transbutyl-2-enyl)benzamide oxalic acid salt
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| Structure |
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| Formula |
C26H32FN3O6
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| Molecular Weight |
501.555
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| Canonical SMILES |
COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc(CCF)cc2)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C24H30FN3O2.C2H2O4/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)21-10-8-20(9-11-21)12-13-25;3-1(4)2(5)6/h2-11H,12-19H2,1H3,(H,26,29);(H,3,4)(H,5,6)/b5-4+;
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| InChIKey |
VVYFKTZMBUJGJO-FXRZFVDSSA-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