General Information of the Compound
| Compound ID |
CP0429750
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| Compound Name |
N-[2,6-di(propan-2-yl)phenyl]-6-[[6-(hydroxymethyl)-1,3-benzoxazol-2-yl]sulfanyl]hexanamide
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| Structure |
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| Formula |
C26H34N2O3S
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| Molecular Weight |
454.636
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccc(CO)cc2o1
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| InChI |
InChI=1S/C26H34N2O3S/c1-17(2)20-9-8-10-21(18(3)4)25(20)28-24(30)11-6-5-7-14-32-26-27-22-13-12-19(16-29)15-23(22)31-26/h8-10,12-13,15,17-18,29H,5-7,11,14,16H2,1-4H3,(H,28,30)
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| InChIKey |
TUYYAQLDBHVNME-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