General Information of the Compound
| Compound ID |
CP0880515
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(((R)-2-((R)-1-(N-(benzoyloxy)formamido)propyl)heptanamido)methyl)-5-phenylfuran-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35N3O6
|
||||||||||||||||||
| Molecular Weight |
533.625
|
||||||||||||||||||
| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccccc2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35N3O6/c1-3-5-8-17-24(25(4-2)33(21-34)39-30(37)23-15-11-7-12-16-23)28(35)31-20-32-29(36)27-19-18-26(38-27)22-13-9-6-10-14-22/h6-7,9-16,18-19,21,24-25H,3-5,8,17,20H2,1-2H3,(H,31,35)(H,32,36)/t24-,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BNEZBKZCEJRZKN-JWQCQUIFSA-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