General Information of the Compound
| Compound ID |
CP0558808
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (3S,3'R,5'S)-1'-(1-benzylimidazole-4-carbonyl)-5-fluoro-5'-(2-methylpropyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29FN4O4
|
||||||||||||||||||
| Molecular Weight |
504.562
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2cn(Cc3ccccc3)cn2)[C@@]11C(=O)Nc2ccc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29FN4O4/c1-17(2)11-20-13-22(26(35)37-3)28(21-12-19(29)9-10-23(21)31-27(28)36)33(20)25(34)24-15-32(16-30-24)14-18-7-5-4-6-8-18/h4-10,12,15-17,20,22H,11,13-14H2,1-3H3,(H,31,36)/t20-,22-,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFSBCECRCZKMPF-IKSSWHGMSA-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