General Information of the Compound
| Compound ID |
CP0502548
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phenyl-butyl]-octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H43N3O4S
|
||||||||||||||||||
| Molecular Weight |
541.758
|
||||||||||||||||||
| Canonical SMILES |
CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H43N3O4S/c1-29(2,3)37-28(34)33-20-16-24-22-32(19-17-27(24)33)21-18-30(4,25-12-8-6-9-13-25)23-31(5)38(35,36)26-14-10-7-11-15-26/h6-15,24,27H,16-23H2,1-5H3/t24?,27?,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HGEYRNZLJKMQLY-ROBZXWEHSA-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