General Information of the Compound
| Compound ID |
CP0942343
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| Compound Name |
3-ethoxy-2-fluoro-5-(5-(((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzoic acid
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| Structure |
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| Formula |
C26H34FN3O8
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| Molecular Weight |
535.569
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)c(F)c(C(=O)O)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C26H34FN3O8/c1-4-7-8-9-17(19(5-2)30(36)15-31)24(32)28-14-29-25(33)21-11-10-20(38-21)16-12-18(26(34)35)23(27)22(13-16)37-6-3/h10-13,15,17,19,36H,4-9,14H2,1-3H3,(H,28,32)(H,29,33)(H,34,35)/t17-,19-/m1/s1
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| InChIKey |
NZZQNOHKPCQKKC-IEBWSBKVSA-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