General Information of the Compound
| Compound ID |
CP0486397
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| Compound Name |
2-N-(2,6-dichlorophenyl)-5-N-(2-methylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
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| Structure |
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| Formula |
C22H19Cl2F3N6S
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| Molecular Weight |
527.403
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| Canonical SMILES |
CC(C)CNc1nc(Nc2ccc(cc2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
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| InChI |
InChI=1S/C22H19Cl2F3N6S/c1-11(2)10-28-20-32-18(29-13-8-6-12(7-9-13)22(25,26)27)17-19(33-20)34-21(31-17)30-16-14(23)4-3-5-15(16)24/h3-9,11H,10H2,1-2H3,(H,30,31)(H2,28,29,32,33)
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| InChIKey |
KXBDRWINDHCJDI-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1