General Information of the Compound
| Compound ID |
CP0551596
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,5S)-1-(3,5-dimethoxyphenethyl)-5-((R)-2-((1R,3aS,7aR)-4-(2-((3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)propyl)-3-hydroxy-3-methylpyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H53NO6
|
||||||||||||||||||
| Molecular Weight |
607.832
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CCN2[C@@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@](C)(O)C2=O)cc(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H53NO6/c1-23(16-28-22-37(4,42)35(41)38(28)15-13-25-17-30(43-5)21-31(18-25)44-6)32-11-12-33-26(8-7-14-36(32,33)3)9-10-27-19-29(39)20-34(40)24(27)2/h9-10,17-18,21,23,28-29,32-34,39-40,42H,2,7-8,11-16,19-20,22H2,1,3-6H3/b26-9+,27-10-/t23-,28+,29-,32-,33+,34+,36-,37+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CXNQEKYGROFBFD-LCFVDGBFSA-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