General Information of the Compound
| Compound ID |
CP0895207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxylic acid (6-fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-amide
Show/Hide
|
||||||||||||||||||
| Formula |
C30H34FN3O3S
|
||||||||||||||||||
| Molecular Weight |
535.685
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34FN3O3S/c31-25-13-14-27-24(18-25)12-15-29(28(27)17-22-5-4-16-32-19-22)34-30(35)23-10-8-21(9-11-23)20-33-38(36,37)26-6-2-1-3-7-26/h1-7,13-14,16,18-19,21,23,28-29,33H,8-12,15,17,20H2,(H,34,35)/t21-,23-,28?,29?
Show/Hide
|
||||||||||||||||||
| InChIKey |
WRWHDTLTHYARJW-PIBIWPFHSA-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