General Information of the Compound
| Compound ID |
CP0559703
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| Compound Name |
N-[2,6-di(propan-2-yl)phenyl]-6-[(4-hydroxy-1,3-benzoxazol-2-yl)sulfanyl]hexanamide
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| Structure |
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| Formula |
C25H32N2O3S
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| Molecular Weight |
440.609
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2c(O)cccc2o1
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| InChI |
InChI=1S/C25H32N2O3S/c1-16(2)18-10-8-11-19(17(3)4)23(18)26-22(29)14-6-5-7-15-31-25-27-24-20(28)12-9-13-21(24)30-25/h8-13,16-17,28H,5-7,14-15H2,1-4H3,(H,26,29)
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| InChIKey |
UFIYWBMRPCUBPM-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