General Information of the Compound
| Compound ID |
CP0880518
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-(2-(carboxymethoxy)-4-(5-((((2R)-2-((1R)-1-(N-(((((S)-1-methoxy-1-oxopropan-2-yl)amino)(phenoxy)phosphoryl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid, triammonia salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H59N8O17P
|
||||||||||||||||||
| Molecular Weight |
954.925
|
||||||||||||||||||
| 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)OP(=O)(N[C@@H](C)C(=O)OC)Oc1ccccc1.N.N.N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H50N5O17P.3H3N/c1-5-7-9-14-27(30(6-2)45(23-46)62-63(57,44-24(3)40(56)58-4)61-26-12-10-8-11-13-26)36(51)41-22-42-38(53)32-18-17-31(60-32)25-15-16-28(33(19-25)59-21-35(49)50)37(52)43-29(39(54)55)20-34(47)48;;;/h8,10-13,15-19,23-24,27,29-30H,5-7,9,14,20-22H2,1-4H3,(H,41,51)(H,42,53)(H,43,52)(H,44,57)(H,47,48)(H,49,50)(H,54,55);3*1H3/t24-,27+,29-,30+,63?;;;/m0.../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGDMQCBIBDJECC-CWSARAQLSA-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