General Information of the Compound
| Compound ID |
CP0405036
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| Compound Name |
N-[2,6-di(propan-2-yl)phenyl]-6-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)hexanamide
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| Structure |
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| Formula |
C24H31N3O2S
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| Molecular Weight |
425.598
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ncccc2o1
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| InChI |
InChI=1S/C24H31N3O2S/c1-16(2)18-10-8-11-19(17(3)4)22(18)26-21(28)13-6-5-7-15-30-24-27-23-20(29-24)12-9-14-25-23/h8-12,14,16-17H,5-7,13,15H2,1-4H3,(H,26,28)
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| InChIKey |
YRTMELAIBBQIQP-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