General Information of the Compound
| Compound ID |
CP0578944
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| Compound Name |
[(1R)-1-[[(2S)-2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoyl]amino]-3-methylbutyl]boronic acid
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| Structure |
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| Formula |
C15H21BCl2N2O5
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| Molecular Weight |
391.06
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)c1cc(Cl)ccc1Cl)B(O)O
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| InChI |
InChI=1S/C15H21BCl2N2O5/c1-8(2)5-13(16(24)25)20-15(23)12(7-21)19-14(22)10-6-9(17)3-4-11(10)18/h3-4,6,8,12-13,21,24-25H,5,7H2,1-2H3,(H,19,22)(H,20,23)/t12-,13-/m0/s1
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| InChIKey |
GXXXAPFVFBGPCW-STQMWFEESA-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