General Information of the Compound
| Compound ID |
CP0418962
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-N'-[(R)-1-phenylethyl]isophthalamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H48N4O3
|
||||||||||||||||||
| Molecular Weight |
632.849
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H48N4O3/c1-30(34-16-9-4-10-17-34)42-39(46)35-18-11-19-36(27-35)40(47)43-37(26-32-12-5-2-6-13-32)38(45)28-41-23-20-31-21-24-44(25-22-31)29-33-14-7-3-8-15-33/h2-19,27,30-31,37-38,41,45H,20-26,28-29H2,1H3,(H,42,46)(H,43,47)/t30-,37+,38-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LXULCPVDXVJLBH-XGZFDELHSA-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