General Information of the Compound
| Compound ID |
CP0914323
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9394275, I-67
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C51H56N6O6
|
||||||||||||||||||
| Molecular Weight |
849.045
|
||||||||||||||||||
| Canonical SMILES |
CC(Cc1ccc(CNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)cc1)NCCc1ccc(O)c2[nH]c(=O)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C51H56N6O6/c1-35(52-28-24-40-18-22-46(58)50-44(40)21-23-47(59)55-50)32-36-12-14-38(15-13-36)34-53-48(60)33-37-16-19-41(20-17-37)56(2)49(61)27-31-57-29-25-42(26-30-57)63-51(62)54-45-11-7-6-10-43(45)39-8-4-3-5-9-39/h3-23,35,42,52,58H,24-34H2,1-2H3,(H,53,60)(H,54,62)(H,55,59)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QFMKACVXSOIJAJ-UHFFFAOYSA-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