General Information of the Compound
| Compound ID |
CP0375133
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| Compound Name |
(S)-2-Amino-4-[1-cyclohexyl-meth-(E)-ylidene]-pentanedioic acid
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| Structure |
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| Formula |
C12H19NO4
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| Molecular Weight |
241.287
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| Canonical SMILES |
N[C@@H](C\C(=C/C1CCCCC1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C12H19NO4/c13-10(12(16)17)7-9(11(14)15)6-8-4-2-1-3-5-8/h6,8,10H,1-5,7,13H2,(H,14,15)(H,16,17)/b9-6+/t10-/m0/s1
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| InChIKey |
SAPFSTBFFFRSED-ZKXNXJMVSA-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