General Information of the Compound
| Compound ID |
CP0860611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[Methyl-(4''-trifluoromethyl-biphenyl-4-carbonyl)-amino]-pyrrolidine-1-carboxylic acid [1-(4,4-dimethyl-cyclohexyl)-pyrrolidin-3-yl]-methyl-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H42F3N5O2
|
||||||||||||||||||
| Molecular Weight |
585.715
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cn1)[C@H]1CCN(C(=O)N(C)[C@@H]2CCN(C3CCC(C)(C)CC3)C2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H42F3N5O2/c1-31(2)15-11-25(12-16-31)39-17-13-27(20-39)38(4)30(42)40-18-14-26(21-40)37(3)29(41)28-10-7-23(19-36-28)22-5-8-24(9-6-22)32(33,34)35/h5-10,19,25-27H,11-18,20-21H2,1-4H3/t26-,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDFWPYZNXYAWAK-RRPNLBNLSA-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