General Information of the Compound
Compound ID |
CP0957680
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Compound Name |
(R)-5-(3-(difluoromethoxy)phenyl)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)furan-2-carboxamide
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Structure |
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Formula |
C22H27F2N3O6
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Molecular Weight |
467.469
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Canonical SMILES |
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(OC(F)F)c2)o1
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InChI |
InChI=1S/C22H27F2N3O6/c1-2-3-4-6-16(12-27(31)14-28)20(29)25-13-26-21(30)19-10-9-18(33-19)15-7-5-8-17(11-15)32-22(23)24/h5,7-11,14,16,22,31H,2-4,6,12-13H2,1H3,(H,25,29)(H,26,30)/t16-/m1/s1
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InChIKey |
JZAXAZJIYIQNAE-MRXNPFEDSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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