General Information of the Compound
| Compound ID |
CP0427223
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[(1-benzylpiperidin-4-yl)methylamino]-propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(R)-1-phenylethyl]isophthalamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H51N5O5S
|
||||||||||||||||||
| Molecular Weight |
725.956
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H51N5O5S/c1-30(34-17-11-6-12-18-34)43-40(48)35-24-36(26-37(25-35)45(2)52(3,50)51)41(49)44-38(23-31-13-7-4-8-14-31)39(47)28-42-27-32-19-21-46(22-20-32)29-33-15-9-5-10-16-33/h4-18,24-26,30,32,38-39,42,47H,19-23,27-29H2,1-3H3,(H,43,48)(H,44,49)/t30-,38+,39-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUBOSJOKXBRQQG-UYQVSLPBSA-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