General Information of the Compound
| Compound ID |
CP0644710
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ERKi_NC
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H16N6O2
|
||||||||||||||||||
| Molecular Weight |
312.333
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)Nc1cc2[nH]ncc2c(CO)n1)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H16N6O2/c1-9(11-4-2-3-5-16-11)18-15(23)20-14-6-12-10(7-17-21-12)13(8-22)19-14/h2-7,9,22H,8H2,1H3,(H,17,21)(H2,18,19,20,23)/t9-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XACXTPQNHGFQOD-VIFPVBQESA-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 | |||||||||||||||||||