General Information of the Compound
| Compound ID |
CP0893178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(1-methylpiperidin-4-yl)-1H-indol-6-yl)thiophene-2-carboximidamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24Cl2N4S
|
||||||||||||||||||
| Molecular Weight |
411.402
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(c2c[nH]c3cc(NC(=N)c4cccs4)ccc23)CC1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N4S.2ClH/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18;;/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CJKZHLLDNYPKMW-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
Protein ID: PT01406, Nitric oxide synthase 1
Protein ID: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible