General Information of the Compound
| Compound ID |
CP0423240
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-3-[4-[[2-(3,4-dichlorophenyl)acetyl]-ethylamino]piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H39Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
544.567
|
||||||||||||||||||
| Canonical SMILES |
CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H39Cl2N3O2/c1-3-35(29(36)20-22-12-13-26(31)27(32)19-22)25-14-16-34(17-15-25)21(2)18-28(23-8-5-4-6-9-23)33-30(37)24-10-7-11-24/h4-6,8-9,12-13,19,21,24-25,28H,3,7,10-11,14-18,20H2,1-2H3,(H,33,37)/t21?,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZAOPQQSGRPEDAY-QVWGJOIVSA-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