General Information of the Compound
| Compound ID |
CP0905531
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| Compound Name |
5-ethoxy-2-hydroxy-3'-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)-[1,1'-biphenyl]-3-carboxylic acid
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| Structure |
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| Formula |
C27H36N4O8
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| Molecular Weight |
544.605
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2cc(OCC)cc(C(=O)O)c2O)n1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C27H36N4O8/c1-4-7-8-10-18(23(5-2)31(38)16-32)25(34)28-15-29-26(35)22-12-9-11-21(30-22)19-13-17(39-6-3)14-20(24(19)33)27(36)37/h9,11-14,16,18,23,33,38H,4-8,10,15H2,1-3H3,(H,28,34)(H,29,35)(H,36,37)/t18-,23-/m1/s1
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| InChIKey |
HRDQVCPUPGUDCG-WZONZLPQSA-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