General Information of the Compound
| Compound ID |
CP0431897
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| Compound Name |
(S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-1-oxopropan-2-yl)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboxamide
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| Synonyms |
H-Tyr-Pro-Ala-Phe-NH2
YPAF-NH2
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| Structure |
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| Formula |
C26H33N5O5
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| Molecular Weight |
495.58
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C26H33N5O5/c1-16(24(34)30-21(23(28)33)15-17-6-3-2-4-7-17)29-25(35)22-8-5-13-31(22)26(36)20(27)14-18-9-11-19(32)12-10-18/h2-4,6-7,9-12,16,20-22,32H,5,8,13-15,27H2,1H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,20-,21-,22-/m0/s1
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| InChIKey |
RZZXLHCBXYDTOF-KPQYALRZSA-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