General Information of the Compound
| Compound ID |
CP0399935
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| Compound Name |
3,5-dichloro-4-(7-(4-(trifluoromethyl)phenylamino)thiazolo[5,4-d]pyrimidin-2-ylamino)benzoic acid
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| Structure |
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| Formula |
C19H10Cl2F3N5O2S
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| Molecular Weight |
500.289
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| Canonical SMILES |
OC(=O)c1cc(Cl)c(Nc2nc3c(Nc4ccc(cc4)C(F)(F)F)ncnc3s2)c(Cl)c1
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| InChI |
InChI=1S/C19H10Cl2F3N5O2S/c20-11-5-8(17(30)31)6-12(21)13(11)28-18-29-14-15(25-7-26-16(14)32-18)27-10-3-1-9(2-4-10)19(22,23)24/h1-7H,(H,28,29)(H,30,31)(H,25,26,27)
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| InChIKey |
MPUNXWKCXNTKCE-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