General Information of the Compound
| Compound ID |
CP0905530
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| Compound Name |
(3-ethoxy-5-(5-((((2R,3R)-3-(N-hydroxyformamido)-2-phenethylpentamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C28H34N3O9P
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| Molecular Weight |
587.566
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| Canonical SMILES |
CCOc1cc(-c2ccc(C(=O)NCNC(=O)[C@H](CCc3ccccc3)[C@@H](CC)N(O)C=O)o2)cc(P(=O)(O)O)c1
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| InChI |
InChI=1S/C28H34N3O9P/c1-3-24(31(35)18-32)23(11-10-19-8-6-5-7-9-19)27(33)29-17-30-28(34)26-13-12-25(40-26)20-14-21(39-4-2)16-22(15-20)41(36,37)38/h5-9,12-16,18,23-24,35H,3-4,10-11,17H2,1-2H3,(H,29,33)(H,30,34)(H2,36,37,38)/t23-,24-/m1/s1
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| InChIKey |
HXBLZCSTDNJRAK-DNQXCXABSA-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