General Information of the Compound
| Compound ID |
CP0530605
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9314468, Table 7, Compound 129
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H45N7O
|
||||||||||||||||||
| Molecular Weight |
579.793
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc34)c12)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H45N7O/c43-33(40-20-4-1-5-21-40)26-42-31-12-3-2-11-28(31)29-14-16-37-30(35(29)42)25-41(22-8-19-39-23-17-36-18-24-39)32-13-6-9-27-10-7-15-38-34(27)32/h2-3,7,10-12,14-16,32,36H,1,4-6,8-9,13,17-26H2/t32-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZQYUEGYDCWPKC-YTTGMZPUSA-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