General Information of the Compound
| Compound ID |
CP0446382
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| Compound Name |
(S)-2-[(S)-2-Amino-3-(4-benzyloxy-phenyl)-propionylamino]-propionic acid
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| Structure |
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| Formula |
C19H22N2O4
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| Molecular Weight |
342.395
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C19H22N2O4/c1-13(19(23)24)21-18(22)17(20)11-14-7-9-16(10-8-14)25-12-15-5-3-2-4-6-15/h2-10,13,17H,11-12,20H2,1H3,(H,21,22)(H,23,24)/t13-,17-/m0/s1
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| InChIKey |
FRARORKJJWBZPY-GUYCJALGSA-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