General Information of the Compound
| Compound ID |
CP0396174
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4203825
Show/Hide
|
||||||||||||||||||
| Formula |
C28H41N9
|
||||||||||||||||||
| Molecular Weight |
503.699
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H41N9/c1-2-35-15-17-36(18-16-35)23-13-11-21(12-14-23)31-26-25-27(37(19-30-25)24-5-3-4-6-24)34-28(33-26)32-22-9-7-20(29)8-10-22/h11-14,19-20,22,24H,2-10,15-18,29H2,1H3,(H2,31,32,33,34)/t20-,22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AGAQJVYMHPGORF-AQYVVDRMSA-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 | |||||||||||||||||||
| 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
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell Viability or Cytotoxicity Assay