General Information of the Compound
| Compound ID |
CP0556448
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9067871, 66
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
489.041
|
||||||||||||||||||
| Canonical SMILES |
CCn1cc(cn1)S(=O)(=O)NCCOc1ccc2CCC(N)C(Cc3cccc(Cl)c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29ClN4O3S/c1-2-29-16-21(15-27-29)33(30,31)28-10-11-32-20-8-6-18-7-9-24(26)23(22(18)14-20)13-17-4-3-5-19(25)12-17/h3-6,8,12,14-16,23-24,28H,2,7,9-11,13,26H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVCXXDBETBMQFK-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