General Information of the Compound
| Compound ID |
CP0563412
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9314468, Table 7, Compound 62
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35N5O2
|
||||||||||||||||||
| Molecular Weight |
485.632
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)Cn1c2ccccc2c2ccnc(CN(CCCCN)[C@H]3CCCc4cccnc34)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35N5O2/c1-2-36-27(35)20-34-25-12-4-3-11-22(25)23-14-17-31-24(29(23)34)19-33(18-6-5-15-30)26-13-7-9-21-10-8-16-32-28(21)26/h3-4,8,10-12,14,16-17,26H,2,5-7,9,13,15,18-20,30H2,1H3/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFJCHGDYUBWKFI-SANMLTNESA-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