General Information of the Compound
| Compound ID |
CP0875207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,8R,9S,10R,13S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13-decahydro-1H-cyclopenta[a]phenanthren-3-yl-2-(dimethylamino)acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36N2O2
|
||||||||||||||||||
| Molecular Weight |
432.608
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36N2O2/c1-27-13-11-21(32-26(31)18-30(3)4)16-20(27)7-8-22-24-10-9-23(19-6-5-15-29-17-19)28(24,2)14-12-25(22)27/h5-7,9-10,15,17,21-22,25H,8,11-14,16,18H2,1-4H3/t21-,22-,25-,27-,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXVCSUCKTMRGCJ-DJVYPGKWSA-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