General Information of the Compound
Compound ID |
CP0483528
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
(R)-3-{Methyl-[5-(4-trifluoromethyl-phenyl)-thiophene-2-carbonyl]-amino}-pyrrolidine-1-carboxylic acid methyl-((S)-1-methyl-pyrrolidin-3-yl)-amide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C24H29F3N4O2S
|
||||||||||||||||||
Molecular Weight |
494.583
|
||||||||||||||||||
Canonical SMILES |
CN([C@H]1CCN(C)C1)C(=O)N1CC[C@H](C1)N(C)C(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C24H29F3N4O2S/c1-28-12-10-18(14-28)30(3)23(33)31-13-11-19(15-31)29(2)22(32)21-9-8-20(34-21)16-4-6-17(7-5-16)24(25,26)27/h4-9,18-19H,10-15H2,1-3H3/t18-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
XNCXMOJZOJYPBA-RBUKOAKNSA-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