General Information of the Compound
| Compound ID |
CP0853208
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((3-fluoro-4-(pyrrolidin-1-yl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid, diammonia salt
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| Structure |
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| Formula |
C36H52FN6O10P
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| Molecular Weight |
778.816
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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(N2CCCC2)c(F)c1.N.N
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| InChI |
InChI=1S/C36H46FN4O10P.2H3N/c1-4-7-8-11-28(30(5-2)41(23-42)51-36(45)24-12-13-31(29(37)20-24)40-16-9-10-17-40)34(43)38-22-39-35(44)33-15-14-32(50-33)25-18-26(49-6-3)21-27(19-25)52(46,47)48;;/h12-15,18-21,23,28,30H,4-11,16-17,22H2,1-3H3,(H,38,43)(H,39,44)(H2,46,47,48);2*1H3/t28-,30-;;/m1../s1
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| InChIKey |
KNMPKNGCQRQLOF-IJCFNHQBSA-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