General Information of the Compound
| Compound ID |
CP0551392
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(11R,12R,13R,14S)-13,15,15-trimethyl-12-(2,3,4-trimethoxyphenyl)-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-9-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29NO5
|
||||||||||||||||||
| Molecular Weight |
435.52
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc([C@@H]2[C@@H](C)[C@H]3[C@@H]2c2c(OC3(C)C)c3ccccc3[nH]c2=O)c(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29NO5/c1-13-18(15-11-12-17(29-4)24(31-6)23(15)30-5)19-20-22(32-26(2,3)21(13)19)14-9-7-8-10-16(14)27-25(20)28/h7-13,18-19,21H,1-6H3,(H,27,28)/t13-,18+,19+,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTTYBABDWKRZPW-VIOWHOEJSA-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