General Information of the Compound
| Compound ID |
CP0550486
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969358, 122
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39N3O6
|
||||||||||||||||||
| Molecular Weight |
525.646
|
||||||||||||||||||
| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CO)NC(C)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39N3O6/c1-16(34)31-20(15-33)25(36)30-13-19-12-27-7-8-29(19,37-2)26-28(27)9-10-32(14-17-3-4-17)22(27)11-18-5-6-21(35)24(38-26)23(18)28/h5-6,17,19-20,22,26,33,35H,3-4,7-15H2,1-2H3,(H,30,36)(H,31,34)/t19-,20+,22-,26-,27-,28+,29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ABXSDMRQPSIMCL-PCXWVTKASA-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