General Information of the Compound
| Compound ID |
CP0505580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21BrN8
|
||||||||||||||||||
| Molecular Weight |
453.348
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]c(C)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21BrN8/c1-13-8-17-18(26-13)24-12-25-19(17)28-6-7-29(14(2)10-28)20(23-11-22)27-16-5-3-4-15(21)9-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,23,27)(H,24,25,26)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XTTGFHVGRVSEQJ-AWEZNQCLSA-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