General Information of the Compound
| Compound ID |
CP0433397
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| Compound Name |
4-tert-butyl-N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-phenyl-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C28H31N3OS
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| Molecular Weight |
457.643
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| Canonical SMILES |
CC(C)(C)c1nc(Nc2cccnc2Oc2ccccc2C(C)(C)C)sc1-c1ccccc1
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| InChI |
InChI=1S/C28H31N3OS/c1-27(2,3)20-15-10-11-17-22(20)32-25-21(16-12-18-29-25)30-26-31-24(28(4,5)6)23(33-26)19-13-8-7-9-14-19/h7-18H,1-6H3,(H,30,31)
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| InChIKey |
APQMVTDYOJHJQN-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