General Information of the Compound
| Compound ID |
CP0869132
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3aR,3bS,9aR,9bS,11aS)-5,9a,11a-trimethyl-1-(4-methylpyridin-3-yl)-3b,4,5,8,9,9a,9b,10,11,11a-decahydro-3H-cyclopenta[i]phenanthridin-7(3aH)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N2O
|
||||||||||||||||||
| Molecular Weight |
376.544
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccncc1C1=CC[C@H]2[C@@H]3CN(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N2O/c1-16-9-12-26-14-18(16)20-5-6-21-19-15-27(4)23-13-17(28)7-10-25(23,3)22(19)8-11-24(20,21)2/h5,9,12-14,19,21-22H,6-8,10-11,15H2,1-4H3/t19-,21-,22-,24+,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QDKIUWICOBINJE-WRUJZFPBSA-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