General Information of the Compound
| Compound ID |
CP0493544
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| Compound Name |
(S)-2-Amino-4-[3-phenyl-prop-(E)-ylidene]-pentanedioic acid
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| Structure |
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| Formula |
C14H17NO4
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| Molecular Weight |
263.293
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| Canonical SMILES |
N[C@@H](C\C(=C/CCc1ccccc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C14H17NO4/c15-12(14(18)19)9-11(13(16)17)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,8,12H,4,7,9,15H2,(H,16,17)(H,18,19)/b11-8+/t12-/m0/s1
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| InChIKey |
UVRPMBQEIDPPCK-OBIHZWKSSA-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