General Information of the Compound
| Compound ID |
CP0572326
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9206199, 35
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N7O4
|
||||||||||||||||||
| Molecular Weight |
489.536
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H]1CN2CCN(CC2CO1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N7O4/c1-16-8-19-10-18(3-4-21(19)25(34)36-16)22-13-30-6-7-31(12-20(30)14-35-22)24(33)9-17-2-5-23(26-11-17)32-15-27-28-29-32/h2-5,10-11,15-16,20,22H,6-9,12-14H2,1H3/t16-,20?,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATUMMYKDIQIRET-UBOWHSQYSA-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