General Information of the Compound
| Compound ID |
CP0528527
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)-3-(2-methylphenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29N5O3
|
||||||||||||||||||
| Molecular Weight |
435.528
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)N(C(=O)Nc1ccccc1C)c1ccnc(N[C@@H](C)C(C)(C)O)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29N5O3/c1-16-8-6-7-9-20(16)27-23(30)29(18-10-12-19(32-5)13-11-18)21-14-15-25-22(28-21)26-17(2)24(3,4)31/h6-15,17,31H,1-5H3,(H,27,30)(H,25,26,28)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CISHPNJYQLAHNX-KRWDZBQOSA-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