General Information of the Compound
| Compound ID |
CP0380120
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-[1-[3-(2-carbamoyl-5-chlorophenyl)-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H26ClF3N4O5
|
||||||||||||||||||
| Molecular Weight |
651.041
|
||||||||||||||||||
| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(Cl)ccc2C(N)=O)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H26ClF3N4O5/c1-18(19-2-4-21(5-3-19)32(45)39-15-14-29(42)43)41-28-16-22(20-6-10-24(11-7-20)46-33(35,36)37)8-12-26(28)30(40-41)27-17-23(34)9-13-25(27)31(38)44/h2-13,16-18H,14-15H2,1H3,(H2,38,44)(H,39,45)(H,42,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQNHGDPPUYYRQL-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