General Information of the Compound
| Compound ID |
CP0548200
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| Compound Name |
methyl (2R)-2-[(3,5-dihydroxybenzoyl)amino]-3-pent-4-enylsulfanylpropanoate
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| Structure |
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| Formula |
C16H21NO5S
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| Molecular Weight |
339.413
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| Canonical SMILES |
COC(=O)[C@H](CSCCCC=C)NC(=O)c1cc(O)cc(O)c1
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| InChI |
InChI=1S/C16H21NO5S/c1-3-4-5-6-23-10-14(16(21)22-2)17-15(20)11-7-12(18)9-13(19)8-11/h3,7-9,14,18-19H,1,4-6,10H2,2H3,(H,17,20)/t14-/m0/s1
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| InChIKey |
YXTRWRQINHZJTQ-AWEZNQCLSA-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