General Information of the Compound
| Compound ID |
CP0554219
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| Compound Name |
methyl (2R)-2-[(4-hydroxybenzoyl)amino]-3-prop-2-ynylsulfanylpropanoate
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| Structure |
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| Formula |
C14H15NO4S
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| Molecular Weight |
293.344
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| Canonical SMILES |
COC(=O)[C@H](CSCC#C)NC(=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C14H15NO4S/c1-3-8-20-9-12(14(18)19-2)15-13(17)10-4-6-11(16)7-5-10/h1,4-7,12,16H,8-9H2,2H3,(H,15,17)/t12-/m0/s1
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| InChIKey |
WZXQFZNRZDYMKY-LBPRGKRZSA-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