General Information of the Compound
| Compound ID |
CP0883838
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2'-((2-ethoxy-4-(5-((((R)-2-((R)-1-(N-hydroxy-formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzoyl)azanediyl)diacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H40N4O11
|
||||||||||||||||||
| Molecular Weight |
632.667
|
||||||||||||||||||
| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N(CC(=O)O)CC(=O)O)c(OCC)c2)o1)[C@@H](CC)N(O)C=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H40N4O11/c1-4-7-8-9-20(22(5-2)34(43)18-35)28(40)31-17-32-29(41)24-13-12-23(45-24)19-10-11-21(25(14-19)44-6-3)30(42)33(15-26(36)37)16-27(38)39/h10-14,18,20,22,43H,4-9,15-17H2,1-3H3,(H,31,40)(H,32,41)(H,36,37)(H,38,39)/t20-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XAAWCFKTKXQICU-IFMALSPDSA-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