General Information of the Compound
| Compound ID |
CP0944178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,7aS)-2-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-3-butylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Show/Hide
|
||||||||||||||||||
| Formula |
C24H28N6O
|
||||||||||||||||||
| Molecular Weight |
416.529
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@@H]1N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(=O)[C@@H]2CCCN12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N6O/c1-2-3-10-22-29-15-6-9-21(29)24(31)30(22)16-17-11-13-18(14-12-17)19-7-4-5-8-20(19)23-25-27-28-26-23/h4-5,7-8,11-14,21-22H,2-3,6,9-10,15-16H2,1H3,(H,25,26,27,28)/t21-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XAJAOOPENTZJHO-VXKWHMMOSA-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