General Information of the Compound
| Compound ID |
CP0466845
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| Compound Name |
3-[2-[[2-(2-tert-butylphenoxy)pyridin-3-yl]amino]-5-phenyl-1,3-thiazol-4-yl]-3-methylbutanoic acid
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| Structure |
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| Formula |
C29H31N3O3S
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| Molecular Weight |
501.652
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(c(s1)-c1ccccc1)C(C)(C)CC(O)=O
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| InChI |
InChI=1S/C29H31N3O3S/c1-28(2,3)20-14-9-10-16-22(20)35-26-21(15-11-17-30-26)31-27-32-25(29(4,5)18-23(33)34)24(36-27)19-12-7-6-8-13-19/h6-17H,18H2,1-5H3,(H,31,32)(H,33,34)
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| InChIKey |
LGUMZZDDXJXMMC-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