General Information of the Compound
| Compound ID |
CP0948189
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| Compound Name |
(R)-N-((2-((N-hydroxyformamido)methyl)-4-phenylbutanamido)methyl)-5-(3-(methylsulfonyl)phenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C25H27N3O7S
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| Molecular Weight |
513.572
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| Canonical SMILES |
CS(=O)(=O)c1cccc(-c2ccc(C(=O)NCNC(=O)[C@H](CCc3ccccc3)CN(O)C=O)o2)c1
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| InChI |
InChI=1S/C25H27N3O7S/c1-36(33,34)21-9-5-8-19(14-21)22-12-13-23(35-22)25(31)27-16-26-24(30)20(15-28(32)17-29)11-10-18-6-3-2-4-7-18/h2-9,12-14,17,20,32H,10-11,15-16H2,1H3,(H,26,30)(H,27,31)/t20-/m1/s1
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| InChIKey |
VEIAHKCIWAUAPR-HXUWFJFHSA-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