General Information of the Compound
| Compound ID |
CP0460659
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| Compound Name |
1,3-bis[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C23H28Cl2N4O
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| Molecular Weight |
447.41
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C23H28Cl2N4O/c24-19-3-1-5-21(17-19)27-11-9-26(10-12-27)8-7-23(30)29-15-13-28(14-16-29)22-6-2-4-20(25)18-22/h1-6,17-18H,7-16H2
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| InChIKey |
NMGFFVQINWQZOE-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7