General Information of the Compound
| Compound ID |
CP0428320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-N-(3,3-dimethylbutyl)-4-N-[(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H33N5O2
|
||||||||||||||||||
| Molecular Weight |
387.528
|
||||||||||||||||||
| Canonical SMILES |
COCc1ccc(CN2CC[C@@H](C2)Nc2cc(NCCC(C)(C)C)ncn2)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H33N5O2/c1-21(2,3)8-9-22-19-11-20(24-15-23-19)25-16-7-10-26(12-16)13-17-5-6-18(28-17)14-27-4/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H2,22,23,24,25)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VOIRHCVNLUEZDJ-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 | |||||||||||||||||||
| 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