General Information of the Compound
| Compound ID |
CP0579855
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| Compound Name |
[(1R)-1-[[(2S)-2-[(2,5-dichlorobenzoyl)amino]-2-phenylacetyl]amino]-3-methylbutyl]boronic acid
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| Structure |
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| Formula |
C20H23BCl2N2O4
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| Molecular Weight |
437.132
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1)B(O)O
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| InChI |
InChI=1S/C20H23BCl2N2O4/c1-12(2)10-17(21(28)29)24-20(27)18(13-6-4-3-5-7-13)25-19(26)15-11-14(22)8-9-16(15)23/h3-9,11-12,17-18,28-29H,10H2,1-2H3,(H,24,27)(H,25,26)/t17-,18-/m0/s1
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| InChIKey |
IHZUWEWVSFPMAS-ROUUACIJSA-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