General Information of the Compound
| Compound ID |
CP0562675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2S)-1-(propanoylamino)propan-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 |
C27H43NO3
|
||||||||||||||||||
| Molecular Weight |
429.645
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)NC[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/C27H43NO3/c1-6-25(30)28-16-17(2)22-9-10-23-21-8-7-19-15-20(31-18(3)29)11-13-26(19,4)24(21)12-14-27(22,23)5/h8,17,19-20,22-24H,6-7,9-16H2,1-5H3,(H,28,30)/t17-,19+,20+,22-,23+,24+,26+,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNPACSHZKJEBIS-PQYBNRLFSA-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