General Information of the Compound
| Compound ID |
CP0375191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propan-2-yl]-N-methylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H46ClF2N3O2
|
||||||||||||||||||
| Molecular Weight |
614.221
|
||||||||||||||||||
| Canonical SMILES |
CN(C(C)=O)C(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H46ClF2N3O2/c1-21-15-25-28(17-30(21)36)35(18-29(25)34(6,7)39(8)22(2)42)11-13-40(14-12-35)32(43)27-20-41(33(3,4)5)19-26(27)24-10-9-23(37)16-31(24)38/h9-10,15-17,26-27,29H,11-14,18-20H2,1-8H3/t26-,27+,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHBGZKGQZMYAOO-YIKNKFAXSA-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