General Information of the Compound
| Compound ID |
CP0457882
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| Compound Name |
(E)-6-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]hex-2-enamide
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| Structure |
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| Formula |
C25H30N2O2S
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| Molecular Weight |
422.594
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)\C=C\CCCSc1nc2ccccc2o1
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| InChI |
InChI=1S/C25H30N2O2S/c1-17(2)19-11-10-12-20(18(3)4)24(19)27-23(28)15-6-5-9-16-30-25-26-21-13-7-8-14-22(21)29-25/h6-8,10-15,17-18H,5,9,16H2,1-4H3,(H,27,28)/b15-6+
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| InChIKey |
UJGAHUXWIDAMFY-GIDUJCDVSA-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