General Information of the Compound
| Compound ID |
CP0402715
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9315514, 3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39NO4
|
||||||||||||||||||
| Molecular Weight |
465.634
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)[C@@]1(C)OCO[C@]23CC[C@@]4(C[C@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3[C@]4(CCN1CC1CC1)c25
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39NO4/c1-25(2,3)26(4)20-14-27-9-10-29(20,33-16-32-26)24-28(27)11-12-30(15-17-5-6-17)21(27)13-18-7-8-19(31)23(34-24)22(18)28/h7-8,17,20-21,24,31H,5-6,9-16H2,1-4H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OWNPADNXDQCYAS-IHFGGWKQSA-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