General Information of the Compound
| Compound ID |
CP0577590
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| Compound Name |
phenyl-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C24H32N4O
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| Molecular Weight |
392.547
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| Canonical SMILES |
O=C(N1CCN(CCCN2CCN(CC2)c2ccccc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C24H32N4O/c29-24(22-8-3-1-4-9-22)28-20-16-26(17-21-28)13-7-12-25-14-18-27(19-15-25)23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2
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| InChIKey |
DYKARFTYXCIJDS-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