General Information of the Compound
| Compound ID |
CP0952676
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9096606, 22
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H42NO4+
|
||||||||||||||||||
| Molecular Weight |
516.702
|
||||||||||||||||||
| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N+]1(C)CC1CC1)[C@H]2O5
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H41NO4/c1-21-6-4-5-7-24(21)19-37-20-25-17-31-12-13-33(25,36-3)30-32(31)14-15-34(2,18-22-8-9-22)27(31)16-23-10-11-26(35)29(38-30)28(23)32/h4-7,10-11,22,25,27,30H,8-9,12-20H2,1-3H3/p+1/t25-,27-,30-,31-,32+,33-,34?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWZRUAOZLXOJFF-QAKVHLFHSA-O
|
||||||||||||||||||
| 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