General Information of the Compound
| Compound ID |
CP0389263
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,7R,9S,12R,15S)-1,7-dicyano-12,15-dimethyl-16-[(2S)-6-methylheptan-2-yl]-3,5-dioxo-4-phenyl-2,4,6-triazapentacyclo[11.7.0.02,6.07,12.015,19]icosan-9-yl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H49N5O4
|
||||||||||||||||||
| Molecular Weight |
627.83
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCC[C@H](C)C1CCC2C[C@@]3(C#N)C(C[C@]12C)[C@@]1(C)CC[C@@H](C[C@@]1(C#N)n1n3c(=O)n(-c2ccccc2)c1=O)OC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H49N5O4/c1-24(2)11-10-12-25(3)30-16-15-27-19-36(22-38)31(21-34(27,30)5)35(6)18-17-29(46-26(4)43)20-37(35,23-39)42-33(45)40(32(44)41(36)42)28-13-8-7-9-14-28/h7-9,13-14,24-25,27,29-31H,10-12,15-21H2,1-6H3/t25-,27?,29-,30?,31?,34-,35+,36+,37-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YVZLAFLCQJVHOE-GWOSISKRSA-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