General Information of the Compound
| Compound ID |
CP0539412
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-pyrrolidin-1-ylpentan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H45NO2
|
||||||||||||||||||
| Molecular Weight |
427.673
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CCC(=O)N1CCCC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H45NO2/c1-19(6-11-26(31)29-16-4-5-17-29)23-9-10-24-22-8-7-20-18-21(30)12-14-27(20,2)25(22)13-15-28(23,24)3/h7,19,21-25,30H,4-6,8-18H2,1-3H3/t19-,21+,22+,23-,24+,25+,27+,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YFEXZUPGAFMKRK-JDTILAPWSA-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