General Information of the Compound
| Compound ID |
CP0957124
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-4-[benzene(imino)sulfinyl]butan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
Show/Hide
|
||||||||||||||||||
| Formula |
C29H41NO2S
|
||||||||||||||||||
| Molecular Weight |
467.719
|
||||||||||||||||||
| Canonical SMILES |
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CC[S+](=N)([O-])c3ccccc3)CC[C@@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H41NO2S/c1-21-11-14-25(31)20-24(21)13-12-23-8-7-18-29(3)27(15-16-28(23)29)22(2)17-19-33(30,32)26-9-5-4-6-10-26/h4-6,9-10,12-13,22,25,27-28,31H,1,7-8,11,14-20H2,2-3H3,(H-,30,32)/b23-12+,24-13-/t22-,25+,27-,28+,29-,33?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QVFFCUTYCWENAB-MQZUNJQQSA-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