General Information of the Compound
| Compound ID |
CP0400320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-2-cyclohexylethyl]-N,1-di(propan-2-yl)pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H56F2N6O2
|
||||||||||||||||||
| Molecular Weight |
654.891
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)C(=O)c1cnn(c1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H56F2N6O2/c1-25(2)44(35(46)28-20-40-45(21-28)26(3)4)24-34(27-11-9-8-10-12-27)41-15-17-42(18-16-41)36(47)32-23-43(37(5,6)7)22-31(32)30-14-13-29(38)19-33(30)39/h13-14,19-21,25-27,31-32,34H,8-12,15-18,22-24H2,1-7H3/t31-,32+,34?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HLKCUDXXFULFRD-MCYVLLSASA-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
Protein ID: PT01325, Melanocortin receptor 3
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor