General Information of the Compound
| Compound ID |
CP0433398
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| Compound Name |
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-4-ethyl-5-phenyl-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C26H27N3OS
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| Molecular Weight |
429.589
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| Canonical SMILES |
CCc1nc(Nc2cccnc2Oc2ccccc2C(C)(C)C)sc1-c1ccccc1
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| InChI |
InChI=1S/C26H27N3OS/c1-5-20-23(18-12-7-6-8-13-18)31-25(28-20)29-21-15-11-17-27-24(21)30-22-16-10-9-14-19(22)26(2,3)4/h6-17H,5H2,1-4H3,(H,28,29)
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| InChIKey |
JNLLMVHPIRGPEL-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