General Information of the Compound
| Compound ID |
CP0026276
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 32
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H37FN8O4
|
||||||||||||||||||
| Molecular Weight |
592.676
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(=O)NC[C@@H](O)CO)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37FN8O4/c1-18(2)38-10-12-39(13-11-38)20-5-7-25(26(15-20)43-3)35-30-36-27-22(8-9-32-27)28(37-30)34-24-6-4-19(31)14-23(24)29(42)33-16-21(41)17-40/h4-9,14-15,18,21,40-41H,10-13,16-17H2,1-3H3,(H,33,42)(H3,32,34,35,36,37)/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SAWLOYCVNOMZOQ-OAQYLSRUSA-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