General Information of the Compound
| Compound ID |
CP0853212
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((4-(morpholinomethyl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H49N4O11P
|
||||||||||||||||||
| Molecular Weight |
756.79
|
||||||||||||||||||
| 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(CN2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H49N4O11P/c1-4-7-8-9-31(32(5-2)41(25-42)52-37(45)27-12-10-26(11-13-27)23-40-16-18-49-19-17-40)35(43)38-24-39-36(44)34-15-14-33(51-34)28-20-29(50-6-3)22-30(21-28)53(46,47)48/h10-15,20-22,25,31-32H,4-9,16-19,23-24H2,1-3H3,(H,38,43)(H,39,44)(H2,46,47,48)/t31-,32-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SEMIHJOCKBTUES-ROJLCIKYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2