General Information of the Compound
| Compound ID |
CP0935705
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-((2-((dimethylcarbamoyl)oxy)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H47N5O16
|
||||||||||||||||||
| Molecular Weight |
853.835
|
||||||||||||||||||
| 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(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H47N5O16/c1-5-7-8-11-24(28(6-2)45(22-46)61-39(56)26-12-9-10-13-30(26)60-40(57)44(3)4)35(51)41-21-42-37(53)31-17-16-29(59-31)23-14-15-25(32(18-23)58-20-34(49)50)36(52)43-27(38(54)55)19-33(47)48/h9-10,12-18,22,24,27-28H,5-8,11,19-21H2,1-4H3,(H,41,51)(H,42,53)(H,43,52)(H,47,48)(H,49,50)(H,54,55)/t24-,27+,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBHTVDUGVJPAID-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