General Information of the Compound
| Compound ID |
CP0453749
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| Compound Name |
(2S)-2-amino-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C18H21N3O3
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| Molecular Weight |
327.384
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| Canonical SMILES |
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C18H21N3O3/c19-15(10-12-4-2-1-3-5-12)18(24)21-16(17(20)23)11-13-6-8-14(22)9-7-13/h1-9,15-16,22H,10-11,19H2,(H2,20,23)(H,21,24)/t15-,16-/m0/s1
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| InChIKey |
NGLOSTXYWNKKOB-HOTGVXAUSA-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