General Information of the Compound
| Compound ID |
CP0421874
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((2R,3S)-4-(benzyl(3-(4-fluorophenyl)propyl)amino)-3-hydroxybutan-2-yl)-3-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38FN7O2
|
||||||||||||||||||
| Molecular Weight |
559.69
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)Cc2ccccc2)cc(c1)-c1nnnn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38FN7O2/c1-4-23-17-26(30-35-36-37-38(30)3)19-28(18-23)34-31(41)33-22(2)29(40)21-39(20-25-9-6-5-7-10-25)16-8-11-24-12-14-27(32)15-13-24/h5-7,9-10,12-15,17-19,22,29,40H,4,8,11,16,20-21H2,1-3H3,(H2,33,34,41)/t22-,29+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJUGVYFBIDUSHH-MNNSJKJDSA-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