General Information of the Compound
| Compound ID |
CP0570284
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,4-diamino-6-[(2S,5S)-2-[3-(3-fluorophenyl)-5-(5-methoxypyridin-3-yl)-4-oxoquinazolin-2-yl]-5-methylpyrrolidin-1-yl]pyrimidine-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H26FN9O2
|
||||||||||||||||||
| Molecular Weight |
563.597
|
||||||||||||||||||
| Canonical SMILES |
COc1cncc(c1)-c1cccc2nc([C@@H]3CC[C@H](C)N3c3nc(N)nc(N)c3C#N)n(-c3cccc(F)c3)c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H26FN9O2/c1-16-9-10-24(39(16)27-22(13-32)26(33)37-30(34)38-27)28-36-23-8-4-7-21(17-11-20(42-2)15-35-14-17)25(23)29(41)40(28)19-6-3-5-18(31)12-19/h3-8,11-12,14-16,24H,9-10H2,1-2H3,(H4,33,34,37,38)/t16-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLGDGKWUNBYKRD-FYSMJZIKSA-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform