General Information of the Compound
| Compound ID |
CP0501155
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| Compound Name |
6-Amino-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 |
C28H30Cl2N4O
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| Molecular Weight |
509.481
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| Canonical SMILES |
Nc1ccc2Cc3cccc(C(=O)NCCCCN4CCN(CC4)c4cccc(Cl)c4Cl)c3-c2c1
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| InChI |
InChI=1S/C28H30Cl2N4O/c29-24-7-4-8-25(27(24)30)34-15-13-33(14-16-34)12-2-1-11-32-28(35)22-6-3-5-20-17-19-9-10-21(31)18-23(19)26(20)22/h3-10,18H,1-2,11-17,31H2,(H,32,35)
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| InChIKey |
PEMDADNXFPDJPI-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