General Information of the Compound
| Compound ID |
CP0869494
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| Compound Name |
(E)-5-Methoxy-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 |
C27H32N4O7
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| Molecular Weight |
524.574
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| Canonical SMILES |
COc1ccc2[nH]c(C(=O)NC/C=C/CN3CCN(c4ccccc4OC)CC3)cc2c1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C25H30N4O3.C2H2O4/c1-31-20-9-10-21-19(17-20)18-22(27-21)25(30)26-11-5-6-12-28-13-15-29(16-14-28)23-7-3-4-8-24(23)32-2;3-1(4)2(5)6/h3-10,17-18,27H,11-16H2,1-2H3,(H,26,30);(H,3,4)(H,5,6)/b6-5+;
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| InChIKey |
SUCWLBCHGIDFRN-IPZCTEOASA-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