General Information of the Compound
| Compound ID |
CP0885952
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| Compound Name |
3-(3-Iodo-4,5-dimethoxy-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide oxalic acid
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| Structure |
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| Formula |
C28H36IN3O8
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| Molecular Weight |
669.513
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cc(I)c(OC)c(OC)c2)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C26H34IN3O4.C2H2O4/c1-32-23-9-5-4-8-22(23)30-16-14-29(15-17-30)13-7-6-12-28-25(31)11-10-20-18-21(27)26(34-3)24(19-20)33-2;3-1(4)2(5)6/h4-5,8-11,18-19H,6-7,12-17H2,1-3H3,(H,28,31);(H,3,4)(H,5,6)/b11-10+;
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| InChIKey |
FGFFJOHLMOLVEC-ASTDGNLGSA-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