General Information of the Compound
| Compound ID |
CP0958075
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8993565, 115
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N5O3
|
||||||||||||||||||
| Molecular Weight |
397.479
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CC1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N5O3/c1-24(2)13-15-14-26(17-6-4-3-5-16(15)17)21(28)11-18-22-19(12-20(27)23-18)25-7-9-29-10-8-25/h3-6,12,15H,7-11,13-14H2,1-2H3,(H,22,23,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SYULZYLLWJVGRP-UHFFFAOYSA-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