General Information of the Compound
| Compound ID |
CP0430934
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,6R)-1,2-Dimethyl-6-[(E)-2-((3S,3aR,4R,4aS,8aR,9aS)-3-methyl-dodecahydro-naphtho[2,3-c]furan-4-yl)-vinyl]-piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H37NO
|
||||||||||||||||||
| Molecular Weight |
331.544
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1OC[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H37NO/c1-15-7-6-9-19(23(15)3)11-12-21-20-10-5-4-8-17(20)13-18-14-24-16(2)22(18)21/h11-12,15-22H,4-10,13-14H2,1-3H3/b12-11+/t15-,16-,17+,18+,19+,20-,21+,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKDNPBUJYWWETN-RRAGSXFASA-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