General Information of the Compound
| Compound ID |
CP0046917
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| Compound Name |
(S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propionic acid
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| Structure |
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| Formula |
C12H16N2O3
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| Molecular Weight |
236.271
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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| InChIKey |
MIDZLCFIAINOQN-WPRPVWTQSA-N
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| CAS |
3918-87-4
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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