General Information of the Compound
| Compound ID |
CP0503902
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H37N3O3S
|
||||||||||||||||||
| Molecular Weight |
567.755
|
||||||||||||||||||
| Canonical SMILES |
O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCc2cc(CN3CCCCC3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H37N3O3S/c38-34(35-32-18-15-29-21-25(13-17-31(29)32)24-37-19-7-2-8-20-37)23-33(27-10-3-1-4-11-27)36-41(39,40)30-16-14-26-9-5-6-12-28(26)22-30/h1,3-6,9-14,16-17,21-22,32-33,36H,2,7-8,15,18-20,23-24H2,(H,35,38)/t32-,33-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWUDOKOIFMMBSB-CZNDPXEESA-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
Protein ID: PT01032, B1 bradykinin receptor
Protein ID: PT02392, B2 bradykinin receptor