General Information of the Compound
| Compound ID |
CP0950774
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID131461186
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27N3O3S
|
||||||||||||||||||
| Molecular Weight |
473.598
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27N3O3S/c1-18-4-3-5-22(14-18)34(32,33)30-13-12-23-26(17-31)29(2)25-11-10-21(15-24(25)27(23)30)20-8-6-19(16-28)7-9-20/h3-11,14-15,23,26-27,31H,12-13,17H2,1-2H3/t23-,26+,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KAZMPFVHMXWNSE-DURWQBQJSA-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