General Information of the Compound
| Compound ID |
CP0563111
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| Compound Name |
methyl (2R)-2-[(3,5-dihydroxybenzoyl)amino]-3-[(4-fluorophenyl)methylsulfanyl]propanoate
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| Structure |
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| Formula |
C18H18FNO5S
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| Molecular Weight |
379.409
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| Canonical SMILES |
COC(=O)[C@H](CSCc1ccc(F)cc1)NC(=O)c1cc(O)cc(O)c1
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| InChI |
InChI=1S/C18H18FNO5S/c1-25-18(24)16(10-26-9-11-2-4-13(19)5-3-11)20-17(23)12-6-14(21)8-15(22)7-12/h2-8,16,21-22H,9-10H2,1H3,(H,20,23)/t16-/m0/s1
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| InChIKey |
HDVSCNZBFOJNJK-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