General Information of the Compound
| Compound ID |
CP0397525
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-1-[1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
537.085
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C)c(Cl)cc1S(=O)(=O)n1c(c(\C=N\N2CCN(C)CC2)c2ccccc12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29ClN4O3S/c1-20-17-26(36-3)27(18-24(20)29)37(34,35)33-25-12-8-7-11-22(25)23(28(33)21-9-5-4-6-10-21)19-30-32-15-13-31(2)14-16-32/h4-12,17-19H,13-16H2,1-3H3/b30-19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUESICBAFAVYLK-NDZAJKAJSA-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