General Information of the Compound
| Compound ID |
CP0902581
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| Compound Name |
(R)-5-(3-(N,N-dimethylsulfamoyl)phenyl)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)furan-2-carboxamide
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| Structure |
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| Formula |
C23H32N4O7S
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| Molecular Weight |
508.597
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| Canonical SMILES |
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(S(=O)(=O)N(C)C)c2)o1
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| InChI |
InChI=1S/C23H32N4O7S/c1-4-5-6-8-18(14-27(31)16-28)22(29)24-15-25-23(30)21-12-11-20(34-21)17-9-7-10-19(13-17)35(32,33)26(2)3/h7,9-13,16,18,31H,4-6,8,14-15H2,1-3H3,(H,24,29)(H,25,30)/t18-/m1/s1
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| InChIKey |
MSEDVICEIMASIV-GOSISDBHSA-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