General Information of the Compound
| Compound ID |
CP0206583
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8530648, 78
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28N6O2
|
||||||||||||||||||
| Molecular Weight |
468.561
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(n1)-c1ccccc1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28N6O2/c1-19-29-25(35-31-19)21-8-3-2-7-20(21)18-33-14-6-11-27(26(33)34)12-15-32(16-13-27)24-17-28-22-9-4-5-10-23(22)30-24/h2-5,7-10,17H,6,11-16,18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ORQIXYIDXFFJOU-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 | |||||||||||||||||||