General Information of the Compound
| Compound ID |
CP0431518
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| Compound Name |
9H-Fluorene-4-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)c3cccc4Cc5ccccc5-c34)CC2)c1Cl
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| InChI |
InChI=1S/C27H27Cl2N3O/c28-23-10-4-11-24(26(23)29)32-16-14-31(15-17-32)13-5-12-30-27(33)22-9-3-7-20-18-19-6-1-2-8-21(19)25(20)22/h1-4,6-11H,5,12-18H2,(H,30,33)
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| InChIKey |
XFOUSEPBBUXFFN-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