General Information of the Compound
| Compound ID |
CP0480900
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H39NO3
|
||||||||||||||||||
| Molecular Weight |
401.591
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@@H](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/C25H39NO3/c1-15(23(28)26-5)20-8-9-21-19-7-6-17-14-18(29-16(2)27)10-12-24(17,3)22(19)11-13-25(20,21)4/h7,15,17-18,20-22H,6,8-14H2,1-5H3,(H,26,28)/t15-,17-,18-,20+,21-,22-,24-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFJCMPJDRHSXPA-SUAWWAITSA-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