General Information of the Compound
| Compound ID |
CP0284920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,3-dimethyl-1-[5-(1H-tetrazol-5-yl)-adamantan-2-yl]-4-(5-trifluoromethyl-pyridin-2-yloxymethyl)-pyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Formula |
C24H29F3N6O2
|
||||||||||||||||||
| Molecular Weight |
490.53
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)C(COc2ccc(cn2)C(F)(F)F)CN([C@H]2C3CC4CC2C[C@](C4)(C3)c2nnn[nH]2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29F3N6O2/c1-22(2)17(12-35-18-4-3-16(10-28-18)24(25,26)27)11-33(21(22)34)19-14-5-13-6-15(19)9-23(7-13,8-14)20-29-31-32-30-20/h3-4,10,13-15,17,19H,5-9,11-12H2,1-2H3,(H,29,30,31,32)/t13?,14?,15?,17?,19-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
JIPIIKUPMSVLEL-WFEZEDJFSA-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