General Information of the Compound
| Compound ID |
CP0577905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9206198, 13
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N2O6
|
||||||||||||||||||
| Molecular Weight |
468.55
|
||||||||||||||||||
| Canonical SMILES |
CO[C@@H](CN1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2C)CC1)c1ccc2C(=O)OCc2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N2O6/c1-15-18(5-6-19-20(15)14-33-24(19)30)21(32-4)13-27-10-7-26(8-11-27)9-12-28(25(26)31)22-16(2)23(29)34-17(22)3/h5-6,17,21H,7-14H2,1-4H3/t17?,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVDFQWOZJBEUQN-LFABVHOISA-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