General Information of the Compound
| Compound ID |
CP0907038
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-(2-hydroxybenzoyloxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H42N4O15
|
||||||||||||||||||
| Molecular Weight |
782.756
|
||||||||||||||||||
| 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)c1ccccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H42N4O15/c1-3-5-6-9-22(26(4-2)41(20-42)56-37(53)23-10-7-8-11-27(23)43)33(48)38-19-39-35(50)29-15-14-28(55-29)21-12-13-24(30(16-21)54-18-32(46)47)34(49)40-25(36(51)52)17-31(44)45/h7-8,10-16,20,22,25-26,43H,3-6,9,17-19H2,1-2H3,(H,38,48)(H,39,50)(H,40,49)(H,44,45)(H,46,47)(H,51,52)/t22-,25+,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNLHNIZYIXKWRI-ZSQFBXSQSA-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