General Information of the Compound
| Compound ID |
CP0552755
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| Compound Name |
methyl (2R)-3-benzylsulfanyl-2-[(3,5-dihydroxybenzoyl)amino]propanoate
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| Structure |
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| Formula |
C18H19NO5S
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| Molecular Weight |
361.419
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| Canonical SMILES |
COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1cc(O)cc(O)c1
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| InChI |
InChI=1S/C18H19NO5S/c1-24-18(23)16(11-25-10-12-5-3-2-4-6-12)19-17(22)13-7-14(20)9-15(21)8-13/h2-9,16,20-21H,10-11H2,1H3,(H,19,22)/t16-/m0/s1
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| InChIKey |
ZVLZYCGCNQAYOK-INIZCTEOSA-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