General Information of the Compound
| Compound ID |
CP0505884
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl)-3-ethylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29N5O3
|
||||||||||||||||||
| Molecular Weight |
411.506
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc2c(COC2(C)C)c(n1)N1CCOC[C@@H]1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29N5O3/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-30-22(18,3)4)20(26-19)27-10-11-29-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XQPKHRSBCBVPLK-AWEZNQCLSA-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