General Information of the Compound
| Compound ID |
CP0543328
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| Compound Name |
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
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| Structure |
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| Formula |
C22H21N5OS
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| Molecular Weight |
403.511
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccncc1
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| InChI |
InChI=1S/C22H21N5OS/c1-22(2,3)16-7-4-5-9-18(16)28-19-17(8-6-12-24-19)25-21-27-26-20(29-21)15-10-13-23-14-11-15/h4-14H,1-3H3,(H,25,27)
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| InChIKey |
UXULBBRUTOUPCJ-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