General Information of the Compound
| Compound ID |
CP0880517
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-(5-((((R)-2-((R)-1-(N-((2-acetoxybenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-2-(carboxymethoxy)benzamido)succinic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H44N4O16
|
||||||||||||||||||
| Molecular Weight |
824.793
|
||||||||||||||||||
| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(OCC(=O)O)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccccc1OC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H44N4O16/c1-4-6-7-10-24(28(5-2)43(21-44)59-39(55)26-11-8-9-12-30(26)57-22(3)45)35(50)40-20-41-37(52)31-16-15-29(58-31)23-13-14-25(32(17-23)56-19-34(48)49)36(51)42-27(38(53)54)18-33(46)47/h8-9,11-17,21,24,27-28H,4-7,10,18-20H2,1-3H3,(H,40,50)(H,41,52)(H,42,51)(H,46,47)(H,48,49)(H,53,54)/t24-,27+,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVJKCOYSJBQHJR-FQLPYIGMSA-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