General Information of the Compound
| Compound ID |
CP0048138
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| Compound Name |
9H-Fluorene-9-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide
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| Structure |
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| Formula |
C28H29Cl2N3O
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| Molecular Weight |
494.466
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)C3c4ccccc4-c4ccccc34)CC2)c1Cl
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| InChI |
InChI=1S/C28H29Cl2N3O/c29-24-12-7-13-25(27(24)30)33-18-16-32(17-19-33)15-6-5-14-31-28(34)26-22-10-3-1-8-20(22)21-9-2-4-11-23(21)26/h1-4,7-13,26H,5-6,14-19H2,(H,31,34)
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| InChIKey |
QCKWKKZGPZWWFN-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