General Information of the Compound
| Compound ID |
CP0372779
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-1-[2-[4-[(3S,4R)-1-acetyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-5-methylphenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H46ClN5O3
|
||||||||||||||||||
| Molecular Weight |
596.216
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H46ClN5O3/c1-22(2)32(35-31(41)13-14-36(5)6)27-19-23(3)7-12-30(27)37-15-17-38(18-16-37)33(42)29-21-39(24(4)40)20-28(29)25-8-10-26(34)11-9-25/h7-12,19,22,28-29,32H,13-18,20-21H2,1-6H3,(H,35,41)/t28-,29+,32-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LXQPRPPIKVZVOG-LBRLCBGXSA-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