General Information of the Compound
| Compound ID |
CP0373239
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8S,11R,13S,14S,16S,17S)-17-(cyclopropanecarbonyl)-16-ethenyl-11-[4-(6-methoxypyridin-3-yl)phenyl]-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H39NO3
|
||||||||||||||||||
| Molecular Weight |
533.712
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cn1)-c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](C[C@@H](C=C)[C@@H]2C(=O)C2CC2)[C@@H]2CCC3=CC(=O)CCC3=C12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H39NO3/c1-4-21-18-31-29-14-11-25-17-27(38)13-15-28(25)33(29)30(19-36(31,2)34(21)35(39)24-9-10-24)23-7-5-22(6-8-23)26-12-16-32(40-3)37-20-26/h4-8,12,16-17,20-21,24,29-31,34H,1,9-11,13-15,18-19H2,2-3H3/t21-,29+,30-,31+,34-,36+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBFBHJWYKIADNM-NRBIJVTISA-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