General Information of the Compound
| Compound ID |
CP0399260
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| Compound Name |
methyl 3,5-dichloro-4-[[7-[4-(trifluoromethyl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]amino]benzoate
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| Structure |
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| Formula |
C20H12Cl2F3N5O2S
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| Molecular Weight |
514.316
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| Canonical SMILES |
COC(=O)c1cc(Cl)c(Nc2nc3c(Nc4ccc(cc4)C(F)(F)F)ncnc3s2)c(Cl)c1
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| InChI |
InChI=1S/C20H12Cl2F3N5O2S/c1-32-18(31)9-6-12(21)14(13(22)7-9)29-19-30-15-16(26-8-27-17(15)33-19)28-11-4-2-10(3-5-11)20(23,24)25/h2-8H,1H3,(H,29,30)(H,26,27,28)
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| InChIKey |
IPPVFLUEUDQFSH-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