General Information of the Compound
| Compound ID |
CP0941017
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(Naphthalen-1-ylsulfonyl)-N-(piperidin-4-ylmethyl)-1Hindazol-6-amine HCl
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
456.999
|
||||||||||||||||||
| Canonical SMILES |
Cl.O=S(=O)(c1cccc2ccccc12)c1n[nH]c2cc(NCC3CCNCC3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N4O2S.ClH/c28-30(29,22-7-3-5-17-4-1-2-6-19(17)22)23-20-9-8-18(14-21(20)26-27-23)25-15-16-10-12-24-13-11-16;/h1-9,14,16,24-25H,10-13,15H2,(H,26,27);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHIVMKLTAVPORB-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