General Information of the Compound
| Compound ID |
CP0547841
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(Z)-[1-[4-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)butyl]-2H-indol-3-ylidene]amino]-1,1-dimethylthiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33N5O3S
|
||||||||||||||||||
| Molecular Weight |
495.649
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(CCCCN3C\C(=N/NC(=S)N(C)C)c4ccccc34)C(=O)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33N5O3S/c1-29(2)26(35)28-27-21-17-31(22-10-6-5-9-19(21)22)13-8-7-12-30-14-11-18-15-23(33-3)24(34-4)16-20(18)25(30)32/h5-6,9-10,15-16H,7-8,11-14,17H2,1-4H3,(H,28,35)/b27-21+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BYZLKBXRKFWFHW-SZXQPVLSSA-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