General Information of the Compound
| Compound ID |
CP0574216
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5081977
Show/Hide
|
||||||||||||||||||
| Formula |
C18H19ClN6O
|
||||||||||||||||||
| Molecular Weight |
370.844
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccn(n1)[C@H]1C[C@@H](C1)c1cc(O[C@H]2C[C@H](C2)n2cccn2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19ClN6O/c19-17-2-5-25(23-17)13-6-12(7-13)16-10-18(21-11-20-16)26-15-8-14(9-15)24-4-1-3-22-24/h1-5,10-15H,6-9H2/t12-,13-,14-,15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
QDHCVOGSDJIGTN-JNCCQOAMSA-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