General Information of the Compound
| Compound ID |
CP0520240
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9200001, 121
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29N9
|
||||||||||||||||||
| Molecular Weight |
443.559
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1nc(cc(n1)-n1nc(C)nc1C)[C@H]1C[C@@H]1c1nc2ccccc2n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29N9/c1-15-25-16(2)33(29-15)22-14-20(27-24(28-22)32-11-9-30(3)10-12-32)17-13-18(17)23-26-19-7-5-6-8-21(19)31(23)4/h5-8,14,17-18H,9-13H2,1-4H3/t17-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIKHKAUVKLDRIN-ROUUACIJSA-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