General Information of the Compound
| Compound ID |
CP0576662
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-(furan-2-yl)-5-[4-[[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]methyl]triazol-1-yl]pyrazol-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C23H15N9O6
|
||||||||||||||||||
| Molecular Weight |
513.43
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1nc(cc1-n1cc(CNc2ccc([N+]([O-])=O)c3nonc23)nn1)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H15N9O6/c33-23(34)13-3-5-15(6-4-13)31-20(10-17(26-31)19-2-1-9-37-19)30-12-14(25-29-30)11-24-16-7-8-18(32(35)36)22-21(16)27-38-28-22/h1-10,12,24H,11H2,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLTXARCQIUWLCF-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 | |||||||||||||||||||
| 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