General Information of the Compound
| Compound ID |
CP0478212
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| Compound Name |
[(1R)-1-[[(2S)-2-(benzylcarbamoylamino)-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
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| Structure |
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| Formula |
C22H30BN3O4
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| Molecular Weight |
411.311
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1)B(O)O
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| InChI |
InChI=1S/C22H30BN3O4/c1-16(2)13-20(23(29)30)26-21(27)19(14-17-9-5-3-6-10-17)25-22(28)24-15-18-11-7-4-8-12-18/h3-12,16,19-20,29-30H,13-15H2,1-2H3,(H,26,27)(H2,24,25,28)/t19-,20-/m0/s1
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| InChIKey |
STAOAQFVLBKEQI-PMACEKPBSA-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