General Information of the Compound
| Compound ID |
CP0480317
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| Compound Name |
2-(4-(2-(2,6-dichlorophenylamino)thiazolo[5,4-d]pyrimidin-7-ylamino)phenyl)-2-methylpropanoic acid
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| Structure |
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| Formula |
C21H17Cl2N5O2S
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| Molecular Weight |
474.373
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| Canonical SMILES |
CC(C)(C(O)=O)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
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| InChI |
InChI=1S/C21H17Cl2N5O2S/c1-21(2,19(29)30)11-6-8-12(9-7-11)26-17-16-18(25-10-24-17)31-20(28-16)27-15-13(22)4-3-5-14(15)23/h3-10H,1-2H3,(H,27,28)(H,29,30)(H,24,25,26)
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| InChIKey |
DOMDOUGANOUMTL-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