General Information of the Compound
| Compound ID |
CP0471541
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| Compound Name |
7-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]heptanamide
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| Structure |
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| Formula |
C26H34N2O2S
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| Molecular Weight |
438.637
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCSc1nc2ccccc2o1
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| InChI |
InChI=1S/C26H34N2O2S/c1-18(2)20-12-11-13-21(19(3)4)25(20)28-24(29)16-7-5-6-10-17-31-26-27-22-14-8-9-15-23(22)30-26/h8-9,11-15,18-19H,5-7,10,16-17H2,1-4H3,(H,28,29)
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| InChIKey |
NVIFQOVKIUPKIM-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