General Information of the Compound
| Compound ID |
CP0499713
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9314468, Table 8, Compound 14
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H38N6O
|
||||||||||||||||||
| Molecular Weight |
498.675
|
||||||||||||||||||
| Canonical SMILES |
OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38N6O/c37-21-20-36-27-9-2-1-8-24(27)25-11-13-32-26(30(25)36)22-35(17-5-16-34-18-14-31-15-19-34)28-10-3-6-23-7-4-12-33-29(23)28/h1-2,4,7-9,11-13,28,31,37H,3,5-6,10,14-22H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLCLLBVMKOLHCX-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