General Information of the Compound
| Compound ID |
CP0870050
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| Compound Name |
(S)-3-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)-4-oxo-4-phenoxybutanoic acid
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| Structure |
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| Formula |
C36H44N4O11
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| Molecular Weight |
708.765
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)Oc3ccccc3)c(OCC)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C36H44N4O11/c1-4-7-9-14-25(28(5-2)40(48)22-41)33(44)37-21-38-35(46)30-18-17-29(51-30)23-15-16-26(31(19-23)49-6-3)34(45)39-27(20-32(42)43)36(47)50-24-12-10-8-11-13-24/h8,10-13,15-19,22,25,27-28,48H,4-7,9,14,20-21H2,1-3H3,(H,37,44)(H,38,46)(H,39,45)(H,42,43)/t25-,27+,28-/m1/s1
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| InChIKey |
WKRDAEQEGSWILI-FPNNDXFKSA-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