General Information of the Compound
| Compound ID |
CP0495092
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(11R,12R,13R,14S)-12-(4-hydroxy-3-methoxyphenyl)-13,15,15-trimethyl-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-9-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25NO4
|
||||||||||||||||||
| Molecular Weight |
391.467
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25NO4/c1-12-18(13-9-10-16(26)17(11-13)28-4)19-20-22(29-24(2,3)21(12)19)14-7-5-6-8-15(14)25-23(20)27/h5-12,18-19,21,26H,1-4H3,(H,25,27)/t12-,18+,19+,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCIVGKBDQPOVPJ-MJRZITLZSA-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