General Information of the Compound
| Compound ID |
CP0860158
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| Compound Name |
(E)-5-(2-(2-Fluoroethoxy)ethoxy)-N-(4-(4-(2-methoxyphenyl)-piperazin-1-yl)but-2-en-1-yl)-1H-indole-2-carboxamide oxalic acid
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| Structure |
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| Formula |
C30H37FN4O8
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| Molecular Weight |
600.644
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| Canonical SMILES |
COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc3cc(OCCOCCF)ccc3[nH]2)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C28H35FN4O4.C2H2O4/c1-35-27-7-3-2-6-26(27)33-15-13-32(14-16-33)12-5-4-11-30-28(34)25-21-22-20-23(8-9-24(22)31-25)37-19-18-36-17-10-29;3-1(4)2(5)6/h2-9,20-21,31H,10-19H2,1H3,(H,30,34);(H,3,4)(H,5,6)/b5-4+;
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| InChIKey |
GCQAMKSJZMJKLE-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
Protein ID: PT01161, D(4) dopamine receptor