General Information of the Compound
| Compound ID |
CP0948195
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| Compound Name |
(R)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)-5-(3-nitrophenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C21H26N4O7
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| Molecular Weight |
446.46
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| Canonical SMILES |
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
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| InChI |
InChI=1S/C21H26N4O7/c1-2-3-4-6-16(12-24(29)14-26)20(27)22-13-23-21(28)19-10-9-18(32-19)15-7-5-8-17(11-15)25(30)31/h5,7-11,14,16,29H,2-4,6,12-13H2,1H3,(H,22,27)(H,23,28)/t16-/m1/s1
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| InChIKey |
JICFSNLJDHMEAM-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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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