General Information of the Compound
| Compound ID |
CP0546454
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| Compound Name |
methyl 2-[6-[2,6-di(propan-2-yl)anilino]-6-oxohexyl]sulfanyl-1,3-benzoxazole-6-carboxylate
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| Structure |
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| Formula |
C27H34N2O4S
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| Molecular Weight |
482.646
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| Canonical SMILES |
COC(=O)c1ccc2nc(SCCCCCC(=O)Nc3c(cccc3C(C)C)C(C)C)oc2c1
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| InChI |
InChI=1S/C27H34N2O4S/c1-17(2)20-10-9-11-21(18(3)4)25(20)29-24(30)12-7-6-8-15-34-27-28-22-14-13-19(26(31)32-5)16-23(22)33-27/h9-11,13-14,16-18H,6-8,12,15H2,1-5H3,(H,29,30)
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| InChIKey |
QOFZSZLSQZRHDD-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