General Information of the Compound
| Compound ID |
CP0514961
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(11R,12R,13R,14S)-13-ethyl-4,8,15,15-tetramethyl-12-(3,4,5-trimethoxyphenyl)-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2(7),3,5-tetraen-9-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35NO5
|
||||||||||||||||||
| Molecular Weight |
477.601
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H]1[C@H]([C@@H]2[C@H]1C(C)(C)Oc1c2c(=O)n(C)c2ccc(C)cc12)c1cc(OC)c(OC)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35NO5/c1-9-17-22(16-13-20(32-6)27(34-8)21(14-16)33-7)23-24-26(35-29(3,4)25(17)23)18-12-15(2)10-11-19(18)30(5)28(24)31/h10-14,17,22-23,25H,9H2,1-8H3/t17-,22-,23+,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXLUFPPQHOZAGP-JCMRRDKTSA-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