General Information of the Compound
| Compound ID |
CP0400396
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9493474, 12A
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N2O6
|
||||||||||||||||||
| Molecular Weight |
506.599
|
||||||||||||||||||
| Canonical SMILES |
CC1CC2CN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2N1C[C@H](O)c1ccc2C(=O)OCc2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N2O6/c1-15-8-18-9-30(11-26(32)19-4-6-21-23(16(19)2)13-36-28(21)34)10-25(18)31(15)12-27(33)20-5-7-22-24(17(20)3)14-37-29(22)35/h4-7,15,18,25-27,32-33H,8-14H2,1-3H3/t15?,18?,25?,26-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ARGJHIBANHOSOD-CCKBBTKFSA-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