General Information of the Compound
| Compound ID |
CP0393419
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| Compound Name |
hexadecyl 2-[3-[(4-hydroxy-3-methoxyphenyl)methylamino]-3-oxopropyl]sulfanylacetate
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| Structure |
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| Formula |
C29H49NO5S
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| Molecular Weight |
523.78
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| Canonical SMILES |
CCCCCCCCCCCCCCCCOC(=O)CSCCC(=O)NCc1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C29H49NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-35-29(33)24-36-21-19-28(32)30-23-25-17-18-26(31)27(22-25)34-2/h17-18,22,31H,3-16,19-21,23-24H2,1-2H3,(H,30,32)
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| InChIKey |
CDECBWUMORXGKQ-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