General Information of the Compound
| Compound ID |
CP0899501
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N1-(3-(Naphthalen-1-ylsulfonyl)-1H-indazol-6-yl)propane-1,2-diamine HCl
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
416.934
|
||||||||||||||||||
| Canonical SMILES |
CC(N)CNc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N4O2S.ClH/c1-13(21)12-22-15-9-10-18-17(11-15)20(24-23-18)27(25,26)19-8-4-6-14-5-2-3-7-16(14)19;/h2-11,13,22H,12,21H2,1H3,(H,23,24);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLEDQRYOWQQOJL-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