General Information of the Compound
| Compound ID |
CP0099584
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[[2-[[(1S,3S,4R)-4-amino-3-(benzenesulfonylmethyl)cyclohexyl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32F3N5O5S
|
||||||||||||||||||
| Molecular Weight |
595.644
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H]1CC[C@@H](C[C@@H]1CS(=O)(=O)c1ccccc1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)N1CCC1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32F3N5O5S/c28-27(29,30)18-7-10-23(34-26(38)35-11-4-12-35)21(14-18)25(37)32-15-24(36)33-19-8-9-22(31)17(13-19)16-41(39,40)20-5-2-1-3-6-20/h1-3,5-7,10,14,17,19,22H,4,8-9,11-13,15-16,31H2,(H,32,37)(H,33,36)(H,34,38)/t17-,19+,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVIPKDVNUOEKRA-ZWCUEREDSA-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