General Information of the Compound
| Compound ID |
CP0901592
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| Compound Name |
2,2'-((2-ethoxy-4-(5-((((2R,3R)-3-(N-hydroxyformamido)-2-phenethylpentanamido)methyl)carbamoyl)furan-2-yl)benzoyl)azanediyl)diacetic acid
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| Structure |
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| Formula |
C33H38N4O11
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| Molecular Weight |
666.684
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| Canonical SMILES |
CCOc1cc(-c2ccc(C(=O)NCNC(=O)[C@H](CCc3ccccc3)[C@@H](CC)N(O)C=O)o2)ccc1C(=O)N(CC(=O)O)CC(=O)O
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| InChI |
InChI=1S/C33H38N4O11/c1-3-25(37(46)20-38)23(12-10-21-8-6-5-7-9-21)31(43)34-19-35-32(44)27-15-14-26(48-27)22-11-13-24(28(16-22)47-4-2)33(45)36(17-29(39)40)18-30(41)42/h5-9,11,13-16,20,23,25,46H,3-4,10,12,17-19H2,1-2H3,(H,34,43)(H,35,44)(H,39,40)(H,41,42)/t23-,25-/m1/s1
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| InChIKey |
XUYXGZGYBSPCEY-ILBGXUMGSA-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