General Information of the Compound
| Compound ID |
CP0494276
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| Compound Name |
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-naphthalen-2-yl-1,3,4-thiadiazol-2-amine
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| Structure |
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| Formula |
C27H24N4OS
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| Molecular Weight |
452.583
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H24N4OS/c1-27(2,3)21-11-6-7-13-23(21)32-24-22(12-8-16-28-24)29-26-31-30-25(33-26)20-15-14-18-9-4-5-10-19(18)17-20/h4-17H,1-3H3,(H,29,31)
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| InChIKey |
WFTJXXLQPQPOCX-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