General Information of the Compound
| Compound ID |
CP0553735
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-((1-(4-tert-butylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)-3-methylbutanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H40F3N3O5
|
||||||||||||||||||
| Molecular Weight |
591.671
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)NC(C)(C)CC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H40F3N3O5/c1-29(2,3)22-10-14-24(15-11-22)37(28(41)35-23-12-16-25(17-13-23)42-31(32,33)34)19-20-6-8-21(9-7-20)27(40)36-30(4,5)18-26(38)39/h6-9,12-13,16-17,22,24H,10-11,14-15,18-19H2,1-5H3,(H,35,41)(H,36,40)(H,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMTMUTBRWQLCHU-UHFFFAOYSA-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