General Information of the Compound
| Compound ID |
CP0437877
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| Compound Name |
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C24H31ClN4O
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| Molecular Weight |
426.992
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CC1)C(=O)CCN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C24H31ClN4O/c25-22-7-4-8-23(19-22)28-15-17-29(18-16-28)24(30)9-10-26-11-13-27(14-12-26)20-21-5-2-1-3-6-21/h1-8,19H,9-18,20H2
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| InChIKey |
IQCQCLUIJHVBSW-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