General Information of the Compound
| Compound ID |
CP0124082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL567993
Show/Hide
|
||||||||||||||||||
| Formula |
C21H29N5O
|
||||||||||||||||||
| Molecular Weight |
367.497
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)ncc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29N5O/c1-14-6-5-7-16(12-14)20(27)23-17-8-10-18(11-9-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-7,12-13,17-18H,8-11H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIMNRLCNWYRUPJ-HDICACEKSA-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