General Information of the Compound
| Compound ID |
CP0440879
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-[(4-methylpiperazin-1-yl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H40FN5O2S
|
||||||||||||||||||
| Molecular Weight |
577.77
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(C[C@@]23CN(CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)S(=O)(=O)c2ccc(cc2)C(C)(C)C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H40FN5O2S/c1-31(2,3)25-5-11-29(12-6-25)41(39,40)37-14-13-26-19-30-24(21-34-38(30)28-9-7-27(33)8-10-28)20-32(26,23-37)22-36-17-15-35(4)16-18-36/h5-12,19,21H,13-18,20,22-23H2,1-4H3/t32-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CRNBLUOPQLCADK-YTTGMZPUSA-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