General Information of the Compound
| Compound ID |
CP0403854
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| Compound Name |
9-Oxo-9H-fluorene-4-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
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| Structure |
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| Formula |
C29H31N3O3
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| Molecular Weight |
469.585
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3C(=O)c4ccccc4-c23)CC1
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| InChI |
InChI=1S/C29H31N3O3/c1-35-26-14-5-4-13-25(26)32-19-17-31(18-20-32)16-7-6-15-30-29(34)24-12-8-11-23-27(24)21-9-2-3-10-22(21)28(23)33/h2-5,8-14H,6-7,15-20H2,1H3,(H,30,34)
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| InChIKey |
VUDZLQDQARJUEH-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