General Information of the Compound
| Compound ID |
CP0577485
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| Compound Name |
(2S)-4-methyl-2-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]pentanoic acid
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| Structure |
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| Formula |
C20H24N4O4
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| Molecular Weight |
384.436
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)C(O)=O
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| InChI |
InChI=1S/C20H24N4O4/c1-13(2)10-16(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)17-12-21-8-9-22-17/h3-9,12-13,15-16H,10-11H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t15-,16-/m0/s1
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| InChIKey |
FPYGKAYEAQATFI-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