General Information of the Compound
| Compound ID |
CP0898590
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| Compound Name |
(S)-2-acetamido-N1-((S)-1-(benzylamino)-1-oxo-4-phenylbutan-2-yl)-N4-neopentylsuccinamide
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| Structure |
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| Formula |
C28H38N4O4
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| Molecular Weight |
494.636
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| Canonical SMILES |
CC(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C28H38N4O4/c1-20(33)31-24(17-25(34)30-19-28(2,3)4)27(36)32-23(16-15-21-11-7-5-8-12-21)26(35)29-18-22-13-9-6-10-14-22/h5-14,23-24H,15-19H2,1-4H3,(H,29,35)(H,30,34)(H,31,33)(H,32,36)/t23-,24-/m0/s1
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| InChIKey |
JVOLOUHVFQIODG-ZEQRLZLVSA-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