General Information of the Compound
| Compound ID |
CP0902595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((3-ethoxy-5-(5-((((R)-2-((R)-1-(N-hydroxy-formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)methyl)phosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H39N4O10P
|
||||||||||||||||||
| Molecular Weight |
610.601
|
||||||||||||||||||
| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(C(=O)NCP(=O)(O)O)c2)o1)[C@@H](CC)N(O)C=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H39N4O10P/c1-4-7-8-9-21(22(5-2)31(36)17-32)26(34)28-15-29-27(35)24-11-10-23(41-24)18-12-19(14-20(13-18)40-6-3)25(33)30-16-42(37,38)39/h10-14,17,21-22,36H,4-9,15-16H2,1-3H3,(H,28,34)(H,29,35)(H,30,33)(H2,37,38,39)/t21-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UPGVKKCQHRSRKC-FGZHOGPDSA-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