General Information of the Compound
| Compound ID |
CP0488046
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| Compound Name |
methyl (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoate
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| Structure |
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| Formula |
C11H14FNO2S
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| Molecular Weight |
243.303
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| Canonical SMILES |
COC(=O)[C@@H](N)CSCc1ccc(F)cc1
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| InChI |
InChI=1S/C11H14FNO2S/c1-15-11(14)10(13)7-16-6-8-2-4-9(12)5-3-8/h2-5,10H,6-7,13H2,1H3/t10-/m0/s1
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| InChIKey |
VAQRHBXMBZIJCY-JTQLQIEISA-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