General Information of the Compound
| Compound ID |
CP0411053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(11R,12R,13R,14S)-13-cyclopropyl-15,15-dimethyl-12-(3,4,5-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 |
C28H31NO5
|
||||||||||||||||||
| Molecular Weight |
461.558
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(OC)c1OC)[C@@H]1[C@@H](C2CC2)[C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31NO5/c1-28(2)24-21(14-10-11-14)20(15-12-18(31-3)26(33-5)19(13-15)32-4)22(24)23-25(34-28)16-8-6-7-9-17(16)29-27(23)30/h6-9,12-14,20-22,24H,10-11H2,1-5H3,(H,29,30)/t20-,21-,22+,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWHNPTUQTILZGI-SVPADUAOSA-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