General Information of the Compound
| Compound ID |
CP0659430
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{(S)-Methyl-[5-(4-trifluoromethyl-phenyl)-thiophene-2-carbonyl]-amino}-pyrrolidine-1-carboxylic acid [(R)-1-(4,4-dimethyl-cyclohexyl)-pyrrolidin-3-yl]-methyl-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H41F3N4O2S
|
||||||||||||||||||
| Molecular Weight |
590.756
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@H]1CCN(C(=O)N(C)[C@@H]2CCN(C3CCC(C)(C)CC3)C2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H41F3N4O2S/c1-30(2)15-11-23(12-16-30)37-17-13-25(19-37)36(4)29(40)38-18-14-24(20-38)35(3)28(39)27-10-9-26(41-27)21-5-7-22(8-6-21)31(32,33)34/h5-10,23-25H,11-20H2,1-4H3/t24-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HCNXPYMDAMAEAE-LOSJGSFVSA-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