General Information of the Compound
| Compound ID |
CP0378972
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| Compound Name |
7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
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| Structure |
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| Formula |
C19H11Cl3F3N5S2
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| Molecular Weight |
536.819
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| Canonical SMILES |
CSc1nc(Nc2ccc(c(Cl)c2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
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| InChI |
InChI=1S/C19H11Cl3F3N5S2/c1-31-17-29-15(26-8-5-6-9(12(22)7-8)19(23,24)25)14-16(30-17)32-18(28-14)27-13-10(20)3-2-4-11(13)21/h2-7H,1H3,(H,27,28)(H,26,29,30)
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| InChIKey |
KAHKFGHCZCZCQA-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