General Information of the Compound
| Compound ID |
CP0236146
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| Compound Name |
N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C16H17N3O2S2
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| Molecular Weight |
347.465
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| Canonical SMILES |
COc1ccc(Nc2nc(cs2)-c2sc(C)nc2C)c(OC)c1
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| InChI |
InChI=1S/C16H17N3O2S2/c1-9-15(23-10(2)17-9)13-8-22-16(19-13)18-12-6-5-11(20-3)7-14(12)21-4/h5-8H,1-4H3,(H,18,19)
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| InChIKey |
CVEPKCCPWIVETG-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: PT01515, Mu-type opioid receptor