General Information of the Compound
| Compound ID |
CP0517985
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-fluorophenyl)-4-N-[(3S)-pyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17FN6
|
||||||||||||||||||
| Molecular Weight |
312.352
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(N[C@H]2CCNC2)c2cc([nH]c2n1)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17FN6/c17-10-3-1-9(2-4-10)13-7-12-14(20-11-5-6-19-8-11)22-16(18)23-15(12)21-13/h1-4,7,11,19H,5-6,8H2,(H4,18,20,21,22,23)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YEINRMPXNIQVIV-NSHDSACASA-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