General Information of the Compound
| Compound ID |
CP0946458
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| Compound Name |
(R)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)-5-(3-(2,2,2-trifluoroethoxy)phenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C23H28F3N3O6
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| Molecular Weight |
499.486
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| Canonical SMILES |
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(OCC(F)(F)F)c2)o1
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| InChI |
InChI=1S/C23H28F3N3O6/c1-2-3-4-6-17(12-29(33)15-30)21(31)27-14-28-22(32)20-10-9-19(35-20)16-7-5-8-18(11-16)34-13-23(24,25)26/h5,7-11,15,17,33H,2-4,6,12-14H2,1H3,(H,27,31)(H,28,32)/t17-/m1/s1
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| InChIKey |
AHGLJHZENXRHON-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