General Information of the Compound
| Compound ID |
CP0373606
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| Compound Name |
4-[4-(4-Chlorophenyl)piperazin-1-yl]-1-([2.2]paracyclophan-4-yl)butan-1-one
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| Structure |
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| Formula |
C30H33ClN2O
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| Molecular Weight |
473.06
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CCCC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
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| InChI |
InChI=1S/C30H33ClN2O/c31-27-13-15-28(16-14-27)33-20-18-32(19-21-33)17-1-2-30(34)29-22-25-8-7-23-3-5-24(6-4-23)9-11-26(29)12-10-25/h3-6,10,12-16,22H,1-2,7-9,11,17-21H2
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| InChIKey |
LOOROOGJSWXTHW-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor