General Information of the Compound
| Compound ID |
CP0878693
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-((phenylcarbamoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H41N4O10P
|
||||||||||||||||||
| Molecular Weight |
672.672
|
||||||||||||||||||
| 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)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H41N4O10P/c1-4-7-9-14-26(27(5-2)36(21-37)46-32(40)35-23-12-10-8-11-13-23)30(38)33-20-34-31(39)29-16-15-28(45-29)22-17-24(44-6-3)19-25(18-22)47(41,42)43/h8,10-13,15-19,21,26-27H,4-7,9,14,20H2,1-3H3,(H,33,38)(H,34,39)(H,35,40)(H2,41,42,43)/t26-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QTXTZIYOAAVQHV-KAYWLYCHSA-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