General Information of the Compound
| Compound ID |
CP0902596
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-2-methylbenzamido)succinic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38N4O10
|
||||||||||||||||||
| Molecular Weight |
602.641
|
||||||||||||||||||
| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(C)c2)o1)[C@@H](CC)N(O)C=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38N4O10/c1-4-6-7-8-20(22(5-2)33(42)16-34)26(37)30-15-31-28(39)24-12-11-23(43-24)18-9-10-19(17(3)13-18)27(38)32-21(29(40)41)14-25(35)36/h9-13,16,20-22,42H,4-8,14-15H2,1-3H3,(H,30,37)(H,31,39)(H,32,38)(H,35,36)(H,40,41)/t20-,21+,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HUOFYCNHPYICME-BHIFYINESA-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