General Information of the Compound
| Compound ID |
CP0488045
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| Compound Name |
methyl (2R)-3-but-3-enylsulfanyl-2-[(3,5-dihydroxybenzoyl)amino]propanoate
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| Structure |
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| Formula |
C15H19NO5S
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| Molecular Weight |
325.386
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| Canonical SMILES |
COC(=O)[C@H](CSCCC=C)NC(=O)c1cc(O)cc(O)c1
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| InChI |
InChI=1S/C15H19NO5S/c1-3-4-5-22-9-13(15(20)21-2)16-14(19)10-6-11(17)8-12(18)7-10/h3,6-8,13,17-18H,1,4-5,9H2,2H3,(H,16,19)/t13-/m0/s1
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| InChIKey |
CXCRUERKDZVWRE-ZDUSSCGKSA-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