General Information of the Compound
| Compound ID |
CP0189754
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| Compound Name |
9H-Fluorene-9-carboxylic acid {3-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-propyl}-amide
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| Structure |
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| Formula |
C27H27Cl2N3O
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| Molecular Weight |
480.439
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCNC(=O)C3c4ccccc4-c4ccccc34)CC2)c1Cl
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| InChI |
InChI=1S/C27H27Cl2N3O/c28-23-11-5-12-24(26(23)29)32-17-15-31(16-18-32)14-6-13-30-27(33)25-21-9-3-1-7-19(21)20-8-2-4-10-22(20)25/h1-5,7-12,25H,6,13-18H2,(H,30,33)
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| InChIKey |
LIOYKDHOQLNTTQ-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