General Information of the Compound
| Compound ID |
CP0217449
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-3-butylsulfonyl-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxopropan-2-yl]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H40F2N4O5S
|
||||||||||||||||||
| Molecular Weight |
630.758
|
||||||||||||||||||
| Canonical SMILES |
CCCCS(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H40F2N4O5S/c1-3-5-12-44(42,43)21-29(38-31(40)25-10-7-11-35-19-25)32(41)37-28(16-24-14-26(33)17-27(34)15-24)30(39)20-36-18-23-9-6-8-22(4-2)13-23/h6-11,13-15,17,19,28-30,36,39H,3-5,12,16,18,20-21H2,1-2H3,(H,37,41)(H,38,40)/t28-,29+,30+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDWLEXMRPVCCOM-FRXPANAUSA-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