General Information of the Compound
| Compound ID |
CP0959120
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-(6-chloro-2-fluoropyridin-3-yl)(3-(4-(4-ethylpiperazin-1-yl)-6-(5-methyl-1H-pyrazol-3-ylamino)pyrimidin-2-ylamino)pyrrolidin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C24H30ClFN10O
|
||||||||||||||||||
| Molecular Weight |
529.024
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)nc4F)C3)n2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30ClFN10O/c1-3-34-8-10-35(11-9-34)21-13-19(29-20-12-15(2)32-33-20)30-24(31-21)27-16-6-7-36(14-16)23(37)17-4-5-18(25)28-22(17)26/h4-5,12-13,16H,3,6-11,14H2,1-2H3,(H3,27,29,30,31,32,33)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQYRFCYHDYXRDA-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
|
||||||||||||||||||
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