General Information of the Compound
| Compound ID |
CP0761016
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-cyclopropylpiperazine-1-carbonyl)-1H-1,2,3-triazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H18N8O2
|
||||||||||||||||||
| Molecular Weight |
354.374
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1cn(-c2nn3cccc3c(=O)[nH]2)nn1)N1CCN(C2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18N8O2/c25-14-13-2-1-5-23(13)19-16(17-14)24-10-12(18-20-24)15(26)22-8-6-21(7-9-22)11-3-4-11/h1-2,5,10-11H,3-4,6-9H2,(H,17,19,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTKYDYGEQIBYKQ-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