General Information of the Compound
| Compound ID |
CP0948406
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| Compound Name |
5-phenyl-N-(((R)-2-((R)-1-(N-(2-phenylacetoxy)formamido)propyl)heptanamido)methyl)furan-2-carboxamide
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| Structure |
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| Formula |
C31H37N3O6
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| Molecular Weight |
547.652
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccccc2)o1)[C@@H](CC)N(C=O)OC(=O)Cc1ccccc1
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| InChI |
InChI=1S/C31H37N3O6/c1-3-5-8-17-25(26(4-2)34(22-35)40-29(36)20-23-13-9-6-10-14-23)30(37)32-21-33-31(38)28-19-18-27(39-28)24-15-11-7-12-16-24/h6-7,9-16,18-19,22,25-26H,3-5,8,17,20-21H2,1-2H3,(H,32,37)(H,33,38)/t25-,26-/m1/s1
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| InChIKey |
DIMDZBGALIQNMU-CLJLJLNGSA-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