General Information of the Compound
| Compound ID |
CP0474598
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| Compound Name |
2-[[4-(difluoromethoxy)phenyl]sulfonyl-[(1R)-1-phenylethyl]amino]acetic acid
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| Structure |
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| Formula |
C17H17F2NO5S
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| Molecular Weight |
385.388
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| Canonical SMILES |
C[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(OC(F)F)cc1)c1ccccc1
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| InChI |
InChI=1S/C17H17F2NO5S/c1-12(13-5-3-2-4-6-13)20(11-16(21)22)26(23,24)15-9-7-14(8-10-15)25-17(18)19/h2-10,12,17H,11H2,1H3,(H,21,22)/t12-/m1/s1
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| InChIKey |
VPPQIKRYXIVXIE-GFCCVEGCSA-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