General Information of the Compound
| Compound ID |
CP0563215
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969358, 107
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H41N3O5
|
||||||||||||||||||
| Molecular Weight |
559.707
|
||||||||||||||||||
| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H41N3O5/c1-40-33-11-10-31(16-22(33)17-35-29(39)24(34)14-19-4-7-23(37)8-5-19)26-15-21-6-9-25(38)28-27(21)32(31,30(33)41-28)12-13-36(26)18-20-2-3-20/h4-9,20,22,24,26,30,37-38H,2-3,10-18,34H2,1H3,(H,35,39)/t22-,24+,26-,30-,31-,32+,33-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUVRJTMEMZAPTD-QIUTYDHRSA-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