General Information of the Compound
| Compound ID |
CP0499708
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9314468, Table 7, Compound 134
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H43N7O2
|
||||||||||||||||||
| Molecular Weight |
641.82
|
||||||||||||||||||
| Canonical SMILES |
O=C1N(CCCn2c3ccccc3c3ccnc(CN(CCCN4CCNCC4)[C@H]4CCCc5cccnc45)c23)C(=O)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H43N7O2/c47-38-31-12-1-2-13-32(31)39(48)46(38)24-8-23-45-34-14-4-3-11-29(34)30-16-18-41-33(37(30)45)27-44(22-7-21-43-25-19-40-20-26-43)35-15-5-9-28-10-6-17-42-36(28)35/h1-4,6,10-14,16-18,35,40H,5,7-9,15,19-27H2/t35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZNPSFOFSKDWBF-DHUJRADRSA-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