General Information of the Compound
| Compound ID |
CP0379548
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| Compound Name |
(S)-2-((S)-1-((S)-2-((2S,3S)-2-((S)-2-amino-3-methylbutanamido)-3-methylpentanamido)-3-(1H-imidazol-5-yl)propanoyl)pyrrolidine-2-carboxamido)-3-phenylpropanoic acid
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| Structure |
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| Formula |
C31H45N7O6
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| Molecular Weight |
611.744
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C31H45N7O6/c1-5-19(4)26(37-28(40)25(32)18(2)3)29(41)35-22(15-21-16-33-17-34-21)30(42)38-13-9-12-24(38)27(39)36-23(31(43)44)14-20-10-7-6-8-11-20/h6-8,10-11,16-19,22-26H,5,9,12-15,32H2,1-4H3,(H,33,34)(H,35,41)(H,36,39)(H,37,40)(H,43,44)/t19-,22-,23-,24-,25-,26-/m0/s1
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| InChIKey |
FJPCLEAXXQFJFD-KTHKBMNISA-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
Protein ID: PT01820, Aminopeptidase N
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase