General Information of the Compound
| Compound ID |
CP0527790
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| Compound Name |
[(1R)-1-[[(2S)-2-[(5-chloro-2-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
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| Structure |
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| Formula |
C22H28BClN2O5
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| Molecular Weight |
446.74
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| Canonical SMILES |
COc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O
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| InChI |
InChI=1S/C22H28BClN2O5/c1-14(2)11-20(23(29)30)26-22(28)18(12-15-7-5-4-6-8-15)25-21(27)17-13-16(24)9-10-19(17)31-3/h4-10,13-14,18,20,29-30H,11-12H2,1-3H3,(H,25,27)(H,26,28)/t18-,20-/m0/s1
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| InChIKey |
WSXFPNVKXNASKV-ICSRJNTNSA-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