General Information of the Compound
| Compound ID |
CP0428202
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| Compound Name |
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
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| Synonyms |
CHEMBL466147
YPAA-NH2
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| Structure |
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| Formula |
C20H29N5O5
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| Molecular Weight |
419.482
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C20H29N5O5/c1-11(17(22)27)23-18(28)12(2)24-19(29)16-4-3-9-25(16)20(30)15(21)10-13-5-7-14(26)8-6-13/h5-8,11-12,15-16,26H,3-4,9-10,21H2,1-2H3,(H2,22,27)(H,23,28)(H,24,29)/t11-,12-,15-,16-/m0/s1
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| InChIKey |
UTONSZTXKQBYQC-APYUEPQZSA-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
Clinical Information about the Compound