General Information of the Compound
| Compound ID |
CP0475785
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(4-nitrophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H17N3O6S
|
||||||||||||||||||
| Molecular Weight |
475.482
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccccc1)c1cc2ccccc2oc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H17N3O6S/c28-24-20(14-17-8-4-5-9-23(17)33-24)21-15-22(16-6-2-1-3-7-16)26(25-21)34(31,32)19-12-10-18(11-13-19)27(29)30/h1-14,22H,15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MASJAVNFENNVOC-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