General Information of the Compound
| Compound ID |
CP0647673
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(3-Fluoro-benzyl)-1H-indazol-5-yl]-5-(methyl-hydrazonomethyl)-pyrimidine-4,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19FN8
|
||||||||||||||||||
| Molecular Weight |
390.426
|
||||||||||||||||||
| Canonical SMILES |
CN/N=C/c1c(N)ncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19FN8/c1-23-26-10-17-19(22)24-12-25-20(17)28-16-5-6-18-14(8-16)9-27-29(18)11-13-3-2-4-15(21)7-13/h2-10,12,23H,11H2,1H3,(H3,22,24,25,28)/b26-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONVVZBADBZXLMG-NSKAYECMSA-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
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2