General Information of the Compound
| Compound ID |
CP0563324
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9314468, Table 7, Compound 115
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H43N7O2
|
||||||||||||||||||
| Molecular Weight |
617.798
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccccn3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H43N7O2/c45-35(42-21-23-46-24-22-42)27-44-33-13-2-1-12-30(33)31-15-19-40-32(37(31)44)26-43(34-14-7-9-28-10-8-18-41-36(28)34)20-6-5-16-38-25-29-11-3-4-17-39-29/h1-4,8,10-13,15,17-19,34,38H,5-7,9,14,16,20-27H2/t34-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNFIKARXLYHDLX-UMSFTDKQSA-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