General Information of the Compound
| Compound ID |
CP0193103
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| Compound Name |
9-Oxo-9H-fluorene-4-carboxylic acid {5-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-pentyl}-amide
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| Structure |
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| Formula |
C29H29Cl2N3O2
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| Molecular Weight |
522.476
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCCNC(=O)c3cccc4C(=O)c5ccccc5-c34)CC2)c1Cl
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| InChI |
InChI=1S/C29H29Cl2N3O2/c30-24-12-7-13-25(27(24)31)34-18-16-33(17-19-34)15-5-1-4-14-32-29(36)23-11-6-10-22-26(23)20-8-2-3-9-21(20)28(22)35/h2-3,6-13H,1,4-5,14-19H2,(H,32,36)
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| InChIKey |
HTQLYZCPYPEYGO-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