General Information of the Compound
| Compound ID |
CP0573200
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| Compound Name |
2-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperazin-1-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C24H32N6O
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| Molecular Weight |
420.561
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CCCN2CCN(CC2)c2ncccc2C#N)CC1
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| InChI |
InChI=1S/C24H32N6O/c1-31-23-7-5-22(6-8-23)29-16-12-27(13-17-29)10-3-11-28-14-18-30(19-15-28)24-21(20-25)4-2-9-26-24/h2,4-9H,3,10-19H2,1H3
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| InChIKey |
VFLXXFOMEUTAEL-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