General Information of the Compound
| Compound ID |
CP0458013
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(1-(4-chlorophenethyl)piperidin-4-yl)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methylpyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33Cl2N3O3S
|
||||||||||||||||||
| Molecular Weight |
574.574
|
||||||||||||||||||
| Canonical SMILES |
CN(C1CCN(CCc2ccc(Cl)cc2)CC1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33Cl2N3O3S/c1-32(24-14-18-33(19-15-24)17-13-21-7-9-23(30)10-8-21)29(35)28-6-3-16-34(28)38(36,37)25-11-12-26-22(20-25)4-2-5-27(26)31/h2,4-5,7-12,20,24,28H,3,6,13-19H2,1H3/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCHYFBVTUQLSBM-NDEPHWFRSA-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