General Information of the Compound
| Compound ID |
CP0136765
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methoxy-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]benzimidazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N6O4S
|
||||||||||||||||||
| Molecular Weight |
458.544
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2n(c(N)nc12)-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOC[C@H]1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N6O4S/c1-13-12-31-10-9-26(13)17-11-16(21(7-8-21)32(3,28)29)23-20(24-17)27-14-5-4-6-15(30-2)18(14)25-19(27)22/h4-6,11,13H,7-10,12H2,1-3H3,(H2,22,25)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYPNFTCJDZFTMY-CYBMUJFWSA-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