General Information of the Compound
| Compound ID |
CP0872469
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-(5-((((R)-2-((R)-1-(N-((4-(1H-pyrazol-1-yl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-2-ethoxybenzamido)succinic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H46N6O12
|
||||||||||||||||||
| Molecular Weight |
802.838
|
||||||||||||||||||
| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(OCC)c2)o1)[C@@H](CC)N(C=O)OC(=O)c1ccc(-n2cccn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H46N6O12/c1-4-7-8-10-28(31(5-2)46(24-47)58-40(55)25-11-14-27(15-12-25)45-20-9-19-43-45)36(50)41-23-42-38(52)33-18-17-32(57-33)26-13-16-29(34(21-26)56-6-3)37(51)44-30(39(53)54)22-35(48)49/h9,11-21,24,28,30-31H,4-8,10,22-23H2,1-3H3,(H,41,50)(H,42,52)(H,44,51)(H,48,49)(H,53,54)/t28-,30+,31-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBJNEKNPRYNNBL-WEAWZCMZSA-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