General Information of the Compound
| Compound ID |
CP0465549
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10336717, Compound 194
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25N3O2S
|
||||||||||||||||||
| Molecular Weight |
419.55
|
||||||||||||||||||
| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#Cc2ccsc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N3O2S/c1-27-21(28)24(26-22(27)25)20-13-16(3-4-17-9-12-30-15-17)5-6-18(20)14-23(24)10-7-19(29-2)8-11-23/h5-6,9,12-13,15,19H,7-8,10-11,14H2,1-2H3,(H2,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSLUSBLFWMZWDK-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