General Information of the Compound
| Compound ID |
CP0573012
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-morpholin-4-yl-4-(2-phenylethyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Show/Hide
|
||||||||||||||||||
| Formula |
C21H21N5O2S
|
||||||||||||||||||
| Molecular Weight |
407.499
|
||||||||||||||||||
| Canonical SMILES |
O=c1n(CCc2ccccc2)c2n[nH]c(=S)n2c2ccc(cc12)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N5O2S/c27-19-17-14-16(24-10-12-28-13-11-24)6-7-18(17)26-20(22-23-21(26)29)25(19)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,23,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZDUPSXPEXBPQQ-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