General Information of the Compound
| Compound ID |
CP0038863
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-4-(5-(amino(phenyl)methyl)-3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N4S
|
||||||||||||||||||
| Molecular Weight |
346.459
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(sc2ccc(cc12)C(N)c1ccccc1)-c1ccnc(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N4S/c1-12-15-11-14(18(21)13-5-3-2-4-6-13)7-8-17(15)25-19(12)16-9-10-23-20(22)24-16/h2-11,18H,21H2,1H3,(H2,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYMAAYVGPSQCHD-UHFFFAOYSA-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