General Information of the Compound
| Compound ID |
CP0901589
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| Compound Name |
(R)-2,6-difluoro-3-(5-(((2-((N-hydroxyformamido)methyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzoic acid
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| Structure |
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| Formula |
C22H25F2N3O7
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| Molecular Weight |
481.452
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| Canonical SMILES |
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2ccc(F)c(C(=O)O)c2F)o1
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| InChI |
InChI=1S/C22H25F2N3O7/c1-2-3-4-5-13(10-27(33)12-28)20(29)25-11-26-21(30)17-9-8-16(34-17)14-6-7-15(23)18(19(14)24)22(31)32/h6-9,12-13,33H,2-5,10-11H2,1H3,(H,25,29)(H,26,30)(H,31,32)/t13-/m1/s1
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| InChIKey |
OJDWWBUOFLCESN-CYBMUJFWSA-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