General Information of the Compound
| Compound ID |
CP0464975
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969358, 129
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37N3O5
|
||||||||||||||||||
| Molecular Weight |
495.62
|
||||||||||||||||||
| Canonical SMILES |
COC12CC[C@@]3(C[C@@H]1CNC(=O)CCC(N)=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37N3O5/c1-35-28-9-8-26(13-18(28)14-30-22(34)7-6-21(29)33)20-12-17-4-5-19(32)24-23(17)27(26,25(28)36-24)10-11-31(20)15-16-2-3-16/h4-5,16,18,20,25,32H,2-3,6-15H2,1H3,(H2,29,33)(H,30,34)/t18-,20-,25-,26-,27+,28?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HSWRWSJGYTWZDW-ZFNNNXMWSA-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