General Information of the Compound
| Compound ID |
CP0543606
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| Compound Name |
2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C23H30N6
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| Molecular Weight |
390.535
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| Canonical SMILES |
N#Cc1cccnc1N1CCN(CCCN2CCN(CC2)c2ccccc2)CC1
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| InChI |
InChI=1S/C23H30N6/c24-20-21-6-4-9-25-23(21)29-18-14-27(15-19-29)11-5-10-26-12-16-28(17-13-26)22-7-2-1-3-8-22/h1-4,6-9H,5,10-19H2
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| InChIKey |
OJNANMGIAFOWHF-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor