General Information of the Compound
| Compound ID |
CP0525864
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R,5R,6R)-1,3-bis(4-amino-3-fluorophenyl)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,3-diazinan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H30F2N4O2
|
||||||||||||||||||
| Molecular Weight |
528.603
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccc(cc1F)N1[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N(C1=O)c1ccc(N)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H30F2N4O2/c32-24-18-22(12-14-26(24)34)36-28(16-11-20-7-3-1-4-8-20)30(38)29(17-21-9-5-2-6-10-21)37(31(36)39)23-13-15-27(35)25(33)19-23/h1-10,12-15,18-19,28-30,38H,11,16-17,34-35H2/t28-,29-,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNKYWKBQDCLPTD-IDZRBWSNSA-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