General Information of the Compound
| Compound ID |
CP0183672
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| Compound Name |
9-Oxo-9H-fluorene-4-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide
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| Structure |
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| Formula |
C28H27Cl2N3O2
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| Molecular Weight |
508.449
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3cccc4C(=O)c5ccccc5-c34)CC2)c1Cl
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| InChI |
InChI=1S/C28H27Cl2N3O2/c29-23-11-6-12-24(26(23)30)33-17-15-32(16-18-33)14-4-3-13-31-28(35)22-10-5-9-21-25(22)19-7-1-2-8-20(19)27(21)34/h1-2,5-12H,3-4,13-18H2,(H,31,35)
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| InChIKey |
WOWYFQWPMWYJNL-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor