General Information of the Compound
| Compound ID |
CP0570028
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C31H29F3N4O4
|
||||||||||||||||||
| Molecular Weight |
578.591
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)NC1(CCC1)c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29F3N4O4/c1-29(2,3)42-28(41)35-30(13-4-14-30)23-9-5-19(6-10-23)21-15-22(27(39)40)17-25(16-21)38-18-26(36-37-38)20-7-11-24(12-8-20)31(32,33)34/h5-12,15-18H,4,13-14H2,1-3H3,(H,35,41)(H,39,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DVYLTQNOBBOPNC-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 | |||||||||||||||||||
| 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