General Information of the Compound
| Compound ID |
CP0548569
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C34H37ClN4O
|
||||||||||||||||||
| Molecular Weight |
553.15
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(Cn2ccc3c(cccc23)N2CCN(CCCOc3cccc4C(CCc34)NCC#C)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H37ClN4O/c1-2-16-36-31-14-13-29-28(31)9-4-12-34(29)40-23-6-17-37-19-21-38(22-20-37)32-10-5-11-33-30(32)15-18-39(33)25-26-7-3-8-27(35)24-26/h1,3-5,7-12,15,18,24,31,36H,6,13-14,16-17,19-23,25H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYAFXEVOOPCAME-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