General Information of the Compound
| Compound ID |
CP0014392
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10717746, Example 66
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28ClN5O2
|
||||||||||||||||||
| Molecular Weight |
429.952
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCCc23)c(Cl)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28ClN5O2/c1-14(29)26-16-7-5-6-15(10-16)22(30)27-21-11-17(19(23)13-24-21)18-12-25-28-9-4-2-3-8-20(18)28/h11-13,15-16H,2-10H2,1H3,(H,26,29)(H,24,27,30)/t15-,16+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEIZYLBJBXFABU-JKSUJKDBSA-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