General Information of the Compound
| Compound ID |
CP0872983
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(Naphthalen-1-ylsulfonyl)-N-(piperidin-5-yl)-1H-indazol-4-amine HCl
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
442.972
|
||||||||||||||||||
| Canonical SMILES |
Cl.O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(NC3CCCNC3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O2S.ClH/c27-29(28,21-9-3-6-15-5-1-2-8-18(15)21)22-19-13-16(10-11-20(19)25-26-22)24-17-7-4-12-23-14-17;/h1-3,5-6,8-11,13,17,23-24H,4,7,12,14H2,(H,25,26);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
LYLJMGGNWRSIPM-UHFFFAOYSA-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