General Information of the Compound
| Compound ID |
CP0446364
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10272079, Compound 126
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C60H84N10O10
|
||||||||||||||||||
| Molecular Weight |
1105.392
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCCCNC(=O)NCCOCCOCCNC(=O)Nc1cccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)c1)NCCOCCOCCNC(=O)Nc1cccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C60H84N10O10/c71-57(63-25-33-75-37-39-77-35-27-65-59(73)67-47-17-13-19-49(43-47)79-55-51-21-5-3-15-45(51)41-53(55)69-29-9-1-10-30-69)61-23-7-8-24-62-58(72)64-26-34-76-38-40-78-36-28-66-60(74)68-48-18-14-20-50(44-48)80-56-52-22-6-4-16-46(52)42-54(56)70-31-11-2-12-32-70/h3-6,13-22,43-44,53-56H,1-2,7-12,23-42H2,(H2,61,63,71)(H2,62,64,72)(H2,65,67,73)(H2,66,68,74)/t53-,54-,55-,56-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFDYRSIFJDQDEV-YKLCXBGOSA-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: PT03762, Sodium/hydrogen exchanger 3
Protein ID: PT04309, Sodium/hydrogen exchanger 3