General Information of the Compound
| Compound ID |
CP0389391
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-(5-chloropyrimidin-2-yl)-6-[4-(pyridin-2-ylmethylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H29ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
561.107
|
||||||||||||||||||
| Canonical SMILES |
Clc1cnc(nc1)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29ClN4O3S/c31-26-18-33-29(34-19-26)35-15-12-30(13-16-35)11-10-25-17-24(8-9-28(25)38-30)23-6-4-22(5-7-23)20-39(36,37)21-27-3-1-2-14-32-27/h1-9,14,17-19H,10-13,15-16,20-21H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CLXLBXKMUQGLSS-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