General Information of the Compound
| Compound ID |
CP0869113
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| Compound Name |
(R)-5-fluoro-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)-6-phenylpicolinamide
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| Structure |
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| Formula |
C22H27FN4O4
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| Molecular Weight |
430.48
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| Canonical SMILES |
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(F)c(-c2ccccc2)n1
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| InChI |
InChI=1S/C22H27FN4O4/c1-2-3-5-10-17(13-27(31)15-28)21(29)24-14-25-22(30)19-12-11-18(23)20(26-19)16-8-6-4-7-9-16/h4,6-9,11-12,15,17,31H,2-3,5,10,13-14H2,1H3,(H,24,29)(H,25,30)/t17-/m1/s1
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| InChIKey |
TWYOKEDUASTWTL-QGZVFWFLSA-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