General Information of the Compound
| Compound ID |
CP0870037
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(2-ethoxy-4-(5-(((R)-2-((R)-1-(N-(4-nitrobenzoyloxy)formamido)propyl)heptanamido)methylcarbamoyl)furan-2-yl)benzamido)succinic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H43N5O14
|
||||||||||||||||||
| Molecular Weight |
781.772
|
||||||||||||||||||
| 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([N+](=O)[O-])cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H43N5O14/c1-4-7-8-9-25(28(5-2)41(21-43)56-37(51)22-10-13-24(14-11-22)42(52)53)33(46)38-20-39-35(48)30-17-16-29(55-30)23-12-15-26(31(18-23)54-6-3)34(47)40-27(36(49)50)19-32(44)45/h10-18,21,25,27-28H,4-9,19-20H2,1-3H3,(H,38,46)(H,39,48)(H,40,47)(H,44,45)(H,49,50)/t25-,27+,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLIDLKZRPTUTMX-FPNNDXFKSA-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