General Information of the Compound
| Compound ID |
CP0565382
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4862452
Show/Hide
|
||||||||||||||||||
| Formula |
C16H23N5O2
|
||||||||||||||||||
| Molecular Weight |
317.393
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12CC(C1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H23N5O2/c17-13(23)12-8-18-15(19-10-1-3-11(22)4-2-10)20-14(12)21-16-5-9(6-16)7-16/h8-11,22H,1-7H2,(H2,17,23)(H2,18,19,20,21)/t9?,10-,11-,16?
Show/Hide
|
||||||||||||||||||
| InChIKey |
IRUBRQUHIORGIW-QQRXUOGYSA-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 | |||||||||||||||||||
| 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