General Information of the Compound
| Compound ID |
CP0853836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-Hydroxy-16-hydroxymethylene-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one
Show/Hide
|
||||||||||||||||||
| Formula |
C19H22O3
|
||||||||||||||||||
| Molecular Weight |
298.382
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CCC3c4ccc(O)cc4CCC3C1CC(C=O)=C2O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22O3/c1-19-7-6-15-14-5-3-13(21)8-11(14)2-4-16(15)17(19)9-12(10-20)18(19)22/h3,5,8,10,15-17,21-22H,2,4,6-7,9H2,1H3/t15?,16?,17?,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQDNZQNADKRMEN-QMUDONBSSA-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 | |||||||||||||||||||
| 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