General Information of the Compound
| Compound ID |
CP0904500
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,4-difluoro-N-((1S)-3-(3-(5-isopropyl-3-methyl-1H-1,2,4-triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)cyclohexanecarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C29H41F2N5O
|
||||||||||||||||||
| Molecular Weight |
513.677
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(C(C)C)n([C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H41F2N5O/c1-19(2)27-32-20(3)34-36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)33-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,33,37)/t23-,24+,25-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTUIAFZYMVYAII-QYOOZWMWSA-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