General Information of the Compound
| Compound ID |
CP0125484
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| Compound Name |
4-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)thiazol-2-amine
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| Structure |
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| Formula |
C24H27F3N4S
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| Molecular Weight |
460.569
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nc(cs2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C24H27F3N4S/c25-24(26,27)20-9-6-10-21(17-20)31-15-13-30(14-16-31)12-5-4-11-28-23-29-22(18-32-23)19-7-2-1-3-8-19/h1-3,6-10,17-18H,4-5,11-16H2,(H,28,29)
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| InChIKey |
ZZWMQJQCXDWUTD-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