General Information of the Compound
| Compound ID |
CP0206600
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| Compound Name |
4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(9H-fluoren-2-ylmethyl)-3-fluoro-N-methylbutan-1-amine
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| Structure |
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| Formula |
C29H32Cl2FN3
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| Molecular Weight |
512.5
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| Canonical SMILES |
CN(CCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl)Cc1ccc-2c(Cc3ccccc-23)c1
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| InChI |
InChI=1S/C29H32Cl2FN3/c1-33(19-21-9-10-26-23(17-21)18-22-5-2-3-6-25(22)26)12-11-24(32)20-34-13-15-35(16-14-34)28-8-4-7-27(30)29(28)31/h2-10,17,24H,11-16,18-20H2,1H3
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| InChIKey |
KROSHEKWTTXFGB-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