General Information of the Compound
| Compound ID |
CP0294893
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-3-[(E)-2-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethenyl]pyrazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35ClN2
|
||||||||||||||||||
| Molecular Weight |
459.077
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Cn2nc(\C=C\[C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35ClN2/c1-20-6-8-22(9-7-20)19-33-27(23-10-12-26(31)21(2)16-23)17-25(32-33)11-13-28-29(3,4)24-14-15-30(28,5)18-24/h6-13,16-17,24,28H,14-15,18-19H2,1-5H3/b13-11+/t24-,28-,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPGUMFMGSWCKBL-OPNARSKSSA-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