General Information of the Compound
| Compound ID |
CP0969209
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-(4-chloro-2,3-difluorophenyl)(3-(4-(4-ethylpiperazin-1-yl)-6-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)pyrrolidin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30ClF2N9O
|
||||||||||||||||||
| Molecular Weight |
546.026
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)c(F)c4F)C3)n2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30ClF2N9O/c1-3-35-8-10-36(11-9-35)21-13-19(30-20-12-15(2)33-34-20)31-25(32-21)29-16-6-7-37(14-16)24(38)17-4-5-18(26)23(28)22(17)27/h4-5,12-13,16H,3,6-11,14H2,1-2H3,(H3,29,30,31,32,33,34)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMWLQLWCWDKMIQ-INIZCTEOSA-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 | |||||||||||||||||||
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