General Information of the Compound
| Compound ID |
CP0944619
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Fluoro-N-{4-[(6-fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-methyl]-cyclohexylmethyl}-benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Formula |
C30H35F2N3O2S
|
||||||||||||||||||
| Molecular Weight |
539.692
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35F2N3O2S/c31-25-12-13-26-24(17-25)11-14-29(27(26)16-23-4-3-15-33-18-23)34-19-21-7-9-22(10-8-21)20-35-38(36,37)30-6-2-1-5-28(30)32/h1-6,12-13,15,17-18,21-22,27,29,34-35H,7-11,14,16,19-20H2/t21-,22-,27?,29?
Show/Hide
|
||||||||||||||||||
| InChIKey |
CMGJXHPGPMBSBU-DWPPAMOISA-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 | |||||||||||||||||||
| 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