General Information of the Compound
| Compound ID |
CP0082131
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(6-((4-acetylpiperazin-1-yl)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-5-(4-fluorophenyl)-N-methylpicolinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33FN4O2
|
||||||||||||||||||
| Molecular Weight |
500.618
|
||||||||||||||||||
| Canonical SMILES |
CN([C@H]1CCc2cc(CN3CCN(CC3)C(C)=O)ccc2C1)C(=O)c1ccc(cn1)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33FN4O2/c1-21(36)35-15-13-34(14-16-35)20-22-3-4-25-18-28(11-7-24(25)17-22)33(2)30(37)29-12-8-26(19-32-29)23-5-9-27(31)10-6-23/h3-6,8-10,12,17,19,28H,7,11,13-16,18,20H2,1-2H3/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCBBASWGELNHIE-NDEPHWFRSA-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