General Information of the Compound
| Compound ID |
CP0398445
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| Compound Name |
2-(N-Acetamido)-ethyl 2-(4-methoxyphenyl)-2-oxoethyl trithiocarbonate
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| Structure |
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| Formula |
C14H17NO3S3
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| Molecular Weight |
343.495
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| Canonical SMILES |
COc1ccc(cc1)C(=O)CSC(=S)SCCNC(C)=O
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| InChI |
InChI=1S/C14H17NO3S3/c1-10(16)15-7-8-20-14(19)21-9-13(17)11-3-5-12(18-2)6-4-11/h3-6H,7-9H2,1-2H3,(H,15,16)
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| InChIKey |
LZLNSVYYUNMJAV-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