General Information of the Compound
| Compound ID |
CP0963614
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(4-Isopropylphenyl)sulfonyl]-5-methoxy-3-[(1-piperazinyl)methyl]-1H-indole Dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31Cl2N3O3S
|
||||||||||||||||||
| Molecular Weight |
500.492
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(c1)c(CN1CCNCC1)cn2S(=O)(=O)c1ccc(C(C)C)cc1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N3O3S.2ClH/c1-17(2)18-4-7-21(8-5-18)30(27,28)26-16-19(15-25-12-10-24-11-13-25)22-14-20(29-3)6-9-23(22)26;;/h4-9,14,16-17,24H,10-13,15H2,1-3H3;2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATOUMNWWFRSNFF-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