General Information of the Compound
| Compound ID |
CP0544806
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| Compound Name |
[(1R)-1-[[(2S)-2-[(3,6-dichloropyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
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| Structure |
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| Formula |
C20H24BCl2N3O4
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| Molecular Weight |
452.147
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(Cl)ccc1Cl)B(O)O
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| InChI |
InChI=1S/C20H24BCl2N3O4/c1-12(2)10-16(21(29)30)25-19(27)15(11-13-6-4-3-5-7-13)24-20(28)18-14(22)8-9-17(23)26-18/h3-9,12,15-16,29-30H,10-11H2,1-2H3,(H,24,28)(H,25,27)/t15-,16-/m0/s1
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| InChIKey |
JOKMTZUICRESFP-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