General Information of the Compound
| Compound ID |
CP0409545
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4S,5R)-3-[[4-amino-3-fluoro-5-(1H-pyrazol-5-yl)phenyl]methyl]-5-[(3-tert-butylphenyl)methylamino]-1,1-dioxothian-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33FN4O3S
|
||||||||||||||||||
| Molecular Weight |
500.64
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)-c3cc[nH]n3)[C@@H]2O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33FN4O3S/c1-26(2,3)19-6-4-5-16(10-19)13-29-23-15-35(33,34)14-18(25(23)32)9-17-11-20(22-7-8-30-31-22)24(28)21(27)12-17/h4-8,10-12,18,23,25,29,32H,9,13-15,28H2,1-3H3,(H,30,31)/t18-,23+,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVAXIHSFKUXWQI-DPQOWFAMSA-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