General Information of the Compound
| Compound ID |
CP0469770
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)(4-(1-cyclohexyl-2-(dipropylamino)ethyl)piperazin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H54F2N4O
|
||||||||||||||||||
| Molecular Weight |
560.818
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H54F2N4O/c1-6-15-36(16-7-2)24-31(25-11-9-8-10-12-25)37-17-19-38(20-18-37)32(40)29-23-39(33(3,4)5)22-28(29)27-14-13-26(34)21-30(27)35/h13-14,21,25,28-29,31H,6-12,15-20,22-24H2,1-5H3/t28-,29+,31?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPFJNBQSGBXUAA-SECPYKCTSA-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