General Information of the Compound
| Compound ID |
CP0559716
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((S)-1-{(1S,3aR,6aS)-4,4-Difluoro-1-[1-((S)-1-phenyl-ethylaminooxalyl)-butylcarbamoyl]-hexahydro-cyclopenta[c]pyrrole-2-carbonyl}-2-methyl-propyl)-carbamic acid isopropyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H44F2N4O6
|
||||||||||||||||||
| Molecular Weight |
606.711
|
||||||||||||||||||
| Canonical SMILES |
CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H44F2N4O6/c1-7-11-23(26(38)28(40)34-19(6)20-12-9-8-10-13-20)35-27(39)25-21-14-15-31(32,33)22(21)16-37(25)29(41)24(17(2)3)36-30(42)43-18(4)5/h8-10,12-13,17-19,21-25H,7,11,14-16H2,1-6H3,(H,34,40)(H,35,39)(H,36,42)/t19-,21-,22-,23?,24-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKEIASRRCAPQHX-HRPYSXEFSA-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