General Information of the Compound
| Compound ID |
CP0236174
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| Compound Name |
(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-pyridin-2-yl-amine
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| Structure |
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| Formula |
C13H12N4S2
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| Molecular Weight |
288.401
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| Canonical SMILES |
Cc1nc(C)c(s1)-c1csc(Nc2ccccn2)n1
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| InChI |
InChI=1S/C13H12N4S2/c1-8-12(19-9(2)15-8)10-7-18-13(16-10)17-11-5-3-4-6-14-11/h3-7H,1-2H3,(H,14,16,17)
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| InChIKey |
QFZCXSQSNPMBIJ-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4