General Information of the Compound
| Compound ID |
CP0891249
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,6R,7S)-8-(4-Butyl-benzoyl)-4-(4-nitro-phenyl)-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N4O5
|
||||||||||||||||||
| Molecular Weight |
448.479
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)N32)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N4O5/c1-2-3-4-15-5-7-16(8-6-15)22(29)25-14-19-13-20(25)21-23(30)27(24(31)26(19)21)17-9-11-18(12-10-17)28(32)33/h5-12,19-21H,2-4,13-14H2,1H3/t19-,20-,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUEQSCZGJIMBFG-PCCBWWKXSA-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