General Information of the Compound
| Compound ID |
CP0572169
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(1S,2R,8R,10R,11S,15S)-8-imidazol-1-yl-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadec-13-enyl]benzimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N4
|
||||||||||||||||||
| Molecular Weight |
438.619
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](C[C@@H](n4ccnc4)C45CC4CC[C@]35C)[C@@H]1CC=C2n1cnc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N4/c1-27-11-10-22-20(21(27)7-8-25(27)33-18-31-23-5-3-4-6-24(23)33)15-26(32-14-13-30-17-32)29-16-19(29)9-12-28(22,29)2/h3-6,8,13-14,17-22,26H,7,9-12,15-16H2,1-2H3/t19?,20-,21-,22-,26+,27-,28+,29?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WICVRUCWSNYEPA-JMBQUFMHSA-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