General Information of the Compound
| Compound ID |
CP0451543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (1S,14R,15R,18S)-15-ethyl-10,17-dimethyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N2O3
|
||||||||||||||||||
| Molecular Weight |
368.477
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1CN(C)[C@H]2Cc3c(C(=O)C[C@H]1[C@@H]2C(=O)OC)n(C)c1ccccc31
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N2O3/c1-5-13-12-23(2)18-10-16-14-8-6-7-9-17(14)24(3)21(16)19(25)11-15(13)20(18)22(26)27-4/h6-9,13,15,18,20H,5,10-12H2,1-4H3/t13-,15+,18-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NGXHJEBLMJISCN-NZEZWHPISA-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