General Information of the Compound
| Compound ID |
CP0579272
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5171331
Show/Hide
|
||||||||||||||||||
| Formula |
C28H41F2N5O2S
|
||||||||||||||||||
| Molecular Weight |
549.732
|
||||||||||||||||||
| Canonical SMILES |
COCc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H41F2N5O2S/c1-18(2)26-33-32-25(16-37-3)35(26)23-14-21-4-5-22(15-23)34(21)12-8-24(20-9-13-38-17-20)31-27(36)19-6-10-28(29,30)11-7-19/h9,13,17-19,21-24H,4-8,10-12,14-16H2,1-3H3,(H,31,36)/t21-,22+,23-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWINSTWELUZATL-KIHHCIJBSA-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