General Information of the Compound
| Compound ID |
CP0948200
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| Compound Name |
(R)-N-((2-((N-hydroxy formamido)methyl)heptanamido)methyl)-5-(3-(methylthio)phenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C22H29N3O5S
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| Molecular Weight |
447.557
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| Canonical SMILES |
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(SC)c2)o1
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| InChI |
InChI=1S/C22H29N3O5S/c1-3-4-5-7-17(13-25(29)15-26)21(27)23-14-24-22(28)20-11-10-19(30-20)16-8-6-9-18(12-16)31-2/h6,8-12,15,17,29H,3-5,7,13-14H2,1-2H3,(H,23,27)(H,24,28)/t17-/m1/s1
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| InChIKey |
ZSMCHLGQBIZRJD-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