General Information of the Compound
| Compound ID |
CP0116396
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzenecarboximidamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N4O3S
|
||||||||||||||||||
| Molecular Weight |
504.656
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N4O3S/c1-20-10-12-25(13-11-20)36(34,35)31-26(19-21-6-5-9-24(18-21)27(29)30)28(33)32-16-14-23(15-17-32)22-7-3-2-4-8-22/h2-13,18,23,26,31H,14-17,19H2,1H3,(H3,29,30)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PHBOBAXNGQOLGV-SANMLTNESA-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