General Information of the Compound
| Compound ID |
CP0457736
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-((R)-7-(((2R,6S)-2,6-dimethylpiperidin-1-yl)methyl)-chroman-4-yl)-3-(naphthalene-3-sulfonamido)-3-phenylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H41N3O4S
|
||||||||||||||||||
| Molecular Weight |
611.808
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCC(C)N1Cc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H41N3O4S/c1-25-9-8-10-26(2)39(25)24-27-15-18-32-33(19-20-43-35(32)21-27)37-36(40)23-34(29-12-4-3-5-13-29)38-44(41,42)31-17-16-28-11-6-7-14-30(28)22-31/h3-7,11-18,21-22,25-26,33-34,38H,8-10,19-20,23-24H2,1-2H3,(H,37,40)/t25?,26?,33-,34-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOFRNMWURPZWBM-NELRVDDCSA-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