General Information of the Compound
| Compound ID |
CP0948197
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| Compound Name |
2-(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)-2,2-difluoroacetic acid
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| Structure |
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| Formula |
C27H35F2N3O8
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| Molecular Weight |
567.586
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(C(F)(F)C(=O)O)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C27H35F2N3O8/c1-4-7-8-9-20(21(5-2)32(38)16-33)24(34)30-15-31-25(35)23-11-10-22(40-23)17-12-18(27(28,29)26(36)37)14-19(13-17)39-6-3/h10-14,16,20-21,38H,4-9,15H2,1-3H3,(H,30,34)(H,31,35)(H,36,37)/t20-,21-/m1/s1
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| InChIKey |
KLWCQQLVUFBCSJ-NHCUHLMSSA-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