General Information of the Compound
| Compound ID |
CP0440983
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]-3-fluorophenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H47ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
600.223
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H47ClFN5O2/c1-22(2)31(36-30(41)14-15-37(5)6)26-8-7-9-29(35)32(26)38-16-18-39(19-17-38)33(42)28-21-40(23(3)4)20-27(28)24-10-12-25(34)13-11-24/h7-13,22-23,27-28,31H,14-21H2,1-6H3,(H,36,41)/t27-,28+,31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ADDYZXQTBNTXEL-QXIHQKPUSA-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