General Information of the Compound
| Compound ID |
CP0520451
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-7-(pyrrolidin-1-ylmethyl)chroman-4-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H35N3O4S
|
||||||||||||||||||
| Molecular Weight |
569.727
|
||||||||||||||||||
| Canonical SMILES |
O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCC3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H35N3O4S/c37-33(34-30-16-19-40-32-20-24(12-15-29(30)32)23-36-17-6-7-18-36)22-31(26-9-2-1-3-10-26)35-41(38,39)28-14-13-25-8-4-5-11-27(25)21-28/h1-5,8-15,20-21,30-31,35H,6-7,16-19,22-23H2,(H,34,37)/t30-,31-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCFWMGLQLSOSOF-FIRIVFDPSA-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