General Information of the Compound
| Compound ID |
CP0135427
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| Compound Name |
7-Chloro-3-[(4-phenylpiperazin-1-yl)methyl]-1Hpyrrolo[2,3-c]pyridine
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| Structure |
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| Formula |
C18H19ClN4
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| Molecular Weight |
326.831
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| Canonical SMILES |
Clc1nccc2c(CN3CCN(CC3)c3ccccc3)c[nH]c12
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| InChI |
InChI=1S/C18H19ClN4/c19-18-17-16(6-7-20-18)14(12-21-17)13-22-8-10-23(11-9-22)15-4-2-1-3-5-15/h1-7,12,21H,8-11,13H2
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| InChIKey |
CIQQYYDWFNUHDM-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