General Information of the Compound
| Compound ID |
CP0459319
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| Compound Name |
2-[4-(9H-Fluoren-1-ylmethyl)-piperazin-1-yl]-pyrimidine
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| Structure |
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| Formula |
C22H22N4
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| Molecular Weight |
342.446
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| Canonical SMILES |
C(N1CCN(CC1)c1ncccn1)c1cccc-2c1Cc1ccccc-21
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| InChI |
InChI=1S/C22H22N4/c1-2-7-19-17(5-1)15-21-18(6-3-8-20(19)21)16-25-11-13-26(14-12-25)22-23-9-4-10-24-22/h1-10H,11-16H2
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| InChIKey |
SRKMMWQNEAUSLE-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor