General Information of the Compound
| Compound ID |
CP0036418
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| Compound Name |
3-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C19H22N4O
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| Molecular Weight |
322.412
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
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| InChI |
InChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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| InChIKey |
NNGCXJPRHBHODU-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