General Information of the Compound
| Compound ID |
CP0415322
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2S)-2-[(3S,5S,9R,10S,13R,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] 2-(dimethylamino)acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H45NO4
|
||||||||||||||||||
| Molecular Weight |
459.671
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](COC(=O)CN(C)C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H45NO4/c1-18(17-32-26(31)16-29(5)6)23-9-10-24-22-8-7-20-15-21(33-19(2)30)11-13-27(20,3)25(22)12-14-28(23,24)4/h8,18,20-21,23-25H,7,9-17H2,1-6H3/t18-,20+,21+,23-,24+,25+,27+,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKLFJHFSRZQYRP-BAYDCLOASA-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