General Information of the Compound
| Compound ID |
CP0902584
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| Compound Name |
(R)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)-5-(3-(2-(pyrrolidin-1-yl)ethoxy)phenyl)furan-2-carboxamide
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| Structure |
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| Formula |
C27H38N4O6
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| Molecular Weight |
514.623
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| Canonical SMILES |
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(OCCN3CCCC3)c2)o1
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| InChI |
InChI=1S/C27H38N4O6/c1-2-3-4-8-22(18-31(35)20-32)26(33)28-19-29-27(34)25-12-11-24(37-25)21-9-7-10-23(17-21)36-16-15-30-13-5-6-14-30/h7,9-12,17,20,22,35H,2-6,8,13-16,18-19H2,1H3,(H,28,33)(H,29,34)/t22-/m1/s1
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| InChIKey |
AOLUUCIWIHCBGT-JOCHJYFZSA-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