General Information of the Compound
| Compound ID |
CP0399365
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| Compound Name |
2-N-(2,6-dichlorophenyl)-5-pyrrolidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
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| Structure |
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| Formula |
C22H17Cl2F3N6S
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| Molecular Weight |
525.387
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(nc3sc(Nc4c(Cl)cccc4Cl)nc23)N2CCCC2)cc1
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| InChI |
InChI=1S/C22H17Cl2F3N6S/c23-14-4-3-5-15(24)16(14)29-21-30-17-18(28-13-8-6-12(7-9-13)22(25,26)27)31-20(32-19(17)34-21)33-10-1-2-11-33/h3-9H,1-2,10-11H2,(H,29,30)(H,28,31,32)
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| InChIKey |
HVPAIQVFVDQDHF-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1