General Information of the Compound
| Compound ID |
CP0475763
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| Compound Name |
4-[4-([2.2]Paracyclophan-4-yl)piperazin-1-yl]-1-([2.2]paracyclophan-4-yl)butan-1-one
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| Structure |
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| Formula |
C41H45NO
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| Molecular Weight |
567.817
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| Canonical SMILES |
O=C(CCCN1CCC(CC1)c1cc2CCc3ccc(CCc1cc2)cc3)c1cc2CCc3ccc(CCc1cc2)cc3
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| InChI |
InChI=1S/C41H45NO/c43-41(40-29-35-14-12-31-5-9-33(10-6-31)16-20-37(40)22-18-35)2-1-25-42-26-23-38(24-27-42)39-28-34-13-11-30-3-7-32(8-4-30)15-19-36(39)21-17-34/h3-10,17-18,21-22,28-29,38H,1-2,11-16,19-20,23-27H2
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| InChIKey |
AADWBQLQKGQDIM-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