General Information of the Compound
| Compound ID |
CP0874938
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-N-[3-[5-bromo-2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30BrN9O2
|
||||||||||||||||||
| Molecular Weight |
568.48
|
||||||||||||||||||
| Canonical SMILES |
COc1nn(C)cc1Nc1ncc(Br)c(-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30BrN9O2/c1-15(35-10-8-33(2)9-11-35)23(36)29-19-7-5-6-16-17(12-27-22(16)19)21-18(26)13-28-25(31-21)30-20-14-34(3)32-24(20)37-4/h5-7,12-15,27H,8-11H2,1-4H3,(H,29,36)(H,28,30,31)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCJQEPKPLJLWMX-OAHLLOKOSA-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