General Information of the Compound
| Compound ID |
CP0507610
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[b][1,8]naphthyridine]-3'-yl]methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H33N5O2
|
||||||||||||||||||
| Molecular Weight |
531.66
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)C(=O)N(C[C@@H]1CCc2ccccc12)Cc1cnc2nc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H33N5O2/c1-32(2,3)31(40)38(19-22-11-10-21-7-4-5-8-25(21)22)18-20-13-23-14-24-15-33(16-27(24)36-28(23)35-17-20)26-9-6-12-34-29(26)37-30(33)39/h4-9,12-14,17,22H,10-11,15-16,18-19H2,1-3H3,(H,34,37,39)/t22-,33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZKIBIWRBMOAQH-KATKFWMUSA-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