General Information of the Compound
| Compound ID |
CP0904672
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| Compound Name |
(R)-(3'-(((2-((N-hydroxyformamido)methyl)-4-phenylbutanamido)methyl)carbamoyl)-[1,1'-biphenyl]-3-yl)boronic acid
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| Structure |
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| Formula |
C26H28BN3O6
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| Molecular Weight |
489.337
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| Canonical SMILES |
O=CN(O)C[C@@H](CCc1ccccc1)C(=O)NCNC(=O)c1cccc(-c2cccc(B(O)O)c2)c1
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| InChI |
InChI=1S/C26H28BN3O6/c31-18-30(36)16-23(13-12-19-6-2-1-3-7-19)26(33)29-17-28-25(32)22-10-4-8-20(14-22)21-9-5-11-24(15-21)27(34)35/h1-11,14-15,18,23,34-36H,12-13,16-17H2,(H,28,32)(H,29,33)/t23-/m1/s1
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| InChIKey |
HGDNIYUGIARWGK-HSZRJFAPSA-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
Protein ID: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2