General Information of the Compound
| Compound ID |
CP0537968
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| Compound Name |
methyl (2S)-2-[[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]amino]-4-methylpentanoate
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| Structure |
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| Formula |
C18H26N2O5
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| Molecular Weight |
350.415
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| Canonical SMILES |
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1
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| InChI |
InChI=1S/C18H26N2O5/c1-12(2)9-15(18(23)25-3)19-17(22)14(11-16(21)20-24)10-13-7-5-4-6-8-13/h4-8,12,14-15,24H,9-11H2,1-3H3,(H,19,22)(H,20,21)/t14-,15+/m1/s1
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| InChIKey |
JQPPVGRWKBYBAK-CABCVRRESA-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