General Information of the Compound
| Compound ID |
CP0880543
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((4-morpholinobenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C36H47N4O11P
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| Molecular Weight |
742.763
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(P(=O)(O)O)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccc(N2CCOCC2)cc1
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| InChI |
InChI=1S/C36H47N4O11P/c1-4-7-8-9-30(31(5-2)40(24-41)51-36(44)25-10-12-27(13-11-25)39-16-18-48-19-17-39)34(42)37-23-38-35(43)33-15-14-32(50-33)26-20-28(49-6-3)22-29(21-26)52(45,46)47/h10-15,20-22,24,30-31H,4-9,16-19,23H2,1-3H3,(H,37,42)(H,38,43)(H2,45,46,47)/t30-,31-/m1/s1
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| InChIKey |
GSEJEYJDCDNZAA-FIRIVFDPSA-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