General Information of the Compound
| Compound ID |
CP0506177
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,4,6-trimethyl-1-methylsulfonyl-3-N-[(1R)-1-phenylethyl]-4H-pyridine-3,5-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H42N4O5S
|
||||||||||||||||||
| Molecular Weight |
594.778
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](NC(=O)C1=C(C)N(C(C)=C(C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H42N4O5S/c1-20-29(31(38)34-21(2)25-14-10-7-11-15-25)22(3)36(42(5,40)41)23(4)30(20)32(39)35-27(18-24-12-8-6-9-13-24)28(37)19-33-26-16-17-26/h6-15,20-21,26-28,33,37H,16-19H2,1-5H3,(H,34,38)(H,35,39)/t20?,21-,27+,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDVIJSYVKMOBBP-WJHNNCHLSA-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