General Information of the Compound
| Compound ID |
CP0161762
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| Compound Name |
3-[4-(4-Iodo-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
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| Synonyms |
L-750,667
L-750667
L750667
Lopac-L-133
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| Structure |
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| Formula |
C18H19IN4
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| Molecular Weight |
418.282
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| Canonical SMILES |
Ic1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
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| InChI |
InChI=1S/C18H19IN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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| InChIKey |
OOEUHRGMLFVKQO-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Clinical Information about the Compound