General Information of the Compound
| Compound ID |
CP0405033
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| Compound Name |
8-(1,3-benzothiazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]octanamide
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| Structure |
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| Formula |
C27H36N2OS2
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| Molecular Weight |
468.732
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCSc1nc2ccccc2s1
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| InChI |
InChI=1S/C27H36N2OS2/c1-19(2)21-13-12-14-22(20(3)4)26(21)29-25(30)17-8-6-5-7-11-18-31-27-28-23-15-9-10-16-24(23)32-27/h9-10,12-16,19-20H,5-8,11,17-18H2,1-4H3,(H,29,30)
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| InChIKey |
ISNARKSHUODLHQ-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