General Information of the Compound
| Compound ID |
CP0478474
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| Compound Name |
4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(9H-fluoren-2-ylmethyl)-N-propylbutan-1-amine
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| Structure |
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| Formula |
C31H37Cl2N3
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| Molecular Weight |
522.564
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| Canonical SMILES |
CCCN(CCCCN1CCN(CC1)c1cccc(Cl)c1Cl)Cc1ccc-2c(Cc3ccccc-23)c1
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| InChI |
InChI=1S/C31H37Cl2N3/c1-2-14-35(23-24-12-13-28-26(21-24)22-25-8-3-4-9-27(25)28)16-6-5-15-34-17-19-36(20-18-34)30-11-7-10-29(32)31(30)33/h3-4,7-13,21H,2,5-6,14-20,22-23H2,1H3
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| InChIKey |
PMHUNJLVEGNLQB-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