General Information of the Compound
| Compound ID |
CP0912247
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((4-(5-((((R)-2-((R)-1-(N-(benzoyloxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-2-ethoxybenzamido)methyl)phosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H43N4O11P
|
||||||||||||||||||
| Molecular Weight |
714.709
|
||||||||||||||||||
| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)NCP(=O)(O)O)c(OCC)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H43N4O11P/c1-4-7-9-14-25(27(5-2)38(22-39)49-34(43)23-12-10-8-11-13-23)31(40)35-20-36-33(42)29-18-17-28(48-29)24-15-16-26(30(19-24)47-6-3)32(41)37-21-50(44,45)46/h8,10-13,15-19,22,25,27H,4-7,9,14,20-21H2,1-3H3,(H,35,40)(H,36,42)(H,37,41)(H2,44,45,46)/t25-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPLSUJIVKJGVGZ-XNMGPUDCSA-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