General Information of the Compound
| Compound ID |
CP0569537
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| Compound Name |
[4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]piperazin-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C24H30Cl2N4O
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| Molecular Weight |
461.437
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCN3CCN(CC3)C(=O)c3ccccc3)CC2)c1Cl
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| InChI |
InChI=1S/C24H30Cl2N4O/c25-21-8-4-9-22(23(21)26)29-16-12-27(13-17-29)10-5-11-28-14-18-30(19-15-28)24(31)20-6-2-1-3-7-20/h1-4,6-9H,5,10-19H2
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| InChIKey |
SJMJEVKDYIICJQ-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