General Information of the Compound
| Compound ID |
CP0477645
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| Compound Name |
5-[[2-(2-tert-butylphenoxy)pyridin-3-yl]amino]-1,3,4-thiadiazole-2-carboxylic acid
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| Structure |
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| Formula |
C18H18N4O3S
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| Molecular Weight |
370.434
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)C(O)=O
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| InChI |
InChI=1S/C18H18N4O3S/c1-18(2,3)11-7-4-5-9-13(11)25-14-12(8-6-10-19-14)20-17-22-21-15(26-17)16(23)24/h4-10H,1-3H3,(H,20,22)(H,23,24)
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| InChIKey |
ILZRIJTYONAFQV-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