General Information of the Compound
| Compound ID |
CP0899405
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| Compound Name |
(S)-2-(2-Benzylamino-3-phenyl-propionylamino)-propionic acid
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| Structure |
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| Formula |
C19H22N2O3
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| Molecular Weight |
326.396
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](Cc1ccccc1)NCc1ccccc1)C(=O)O
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| InChI |
InChI=1S/C19H22N2O3/c1-14(19(23)24)21-18(22)17(12-15-8-4-2-5-9-15)20-13-16-10-6-3-7-11-16/h2-11,14,17,20H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17-/m0/s1
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| InChIKey |
QJQSDYMCCOCSDF-YOEHRIQHSA-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