General Information of the Compound
| Compound ID |
CP0406881
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2403861
Show/Hide
|
||||||||||||||||||
| Formula |
C27H31ClN4O
|
||||||||||||||||||
| Molecular Weight |
463.025
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NC[C@H]1Cc2ccc(cc2C1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31ClN4O/c1-27(2,33)26-31-24-14-21(28)5-10-25(24)32(26)23-8-6-22(7-9-23)30-16-18-12-19-4-3-17(15-29)11-20(19)13-18/h3-5,10-11,14,18,22-23,30,33H,6-9,12-13,16H2,1-2H3/t18-,22-,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKRHAYBIIRGRNK-OFAXGOBFSA-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