General Information of the Compound
| Compound ID |
CP0307244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8S,9S,11S,13S,14S,17S)-11-ethoxy-17-hydroxy-13-methyl-N-(2-methylpyridin-3-yl)-17-prop-1-ynyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36N2O3
|
||||||||||||||||||
| Molecular Weight |
472.629
|
||||||||||||||||||
| Canonical SMILES |
CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCc3cc(ccc3[C@@H]12)C(=O)Nc1cccnc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36N2O3/c1-5-14-30(34)15-13-24-23-12-9-20-17-21(28(33)32-25-8-7-16-31-19(25)3)10-11-22(20)27(23)26(35-6-2)18-29(24,30)4/h7-8,10-11,16-17,23-24,26-27,34H,6,9,12-13,15,18H2,1-4H3,(H,32,33)/t23-,24-,26-,27+,29-,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HGDZKRTZJOREBE-GYBXLDJFSA-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