General Information of the Compound
| Compound ID |
CP0404510
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| Compound Name |
(4-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-cyclohexyl)-pyrimidin-2-yl-amine
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| Formula |
C22H30FN5
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| Molecular Weight |
383.515
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| Canonical SMILES |
Fc1ccc(cc1)N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1
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| InChI |
InChI=1S/C22H30FN5/c23-19-4-8-21(9-5-19)28-16-14-27(15-17-28)13-10-18-2-6-20(7-3-18)26-22-24-11-1-12-25-22/h1,4-5,8-9,11-12,18,20H,2-3,6-7,10,13-17H2,(H,24,25,26)/t18-,20-
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| InChIKey |
FANDJZBJYJYKGY-KESTWPANSA-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