General Information of the Compound
| Compound ID |
CP0864817
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(1H-indol-3-yl)-N-((S)-1-((R)-2-methyloxiran-2-yl)-1-oxo-3-phenylpropan-2-yl)-2-((R)-2-(2-morpholinoacetamido)propanamido)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H39N5O6
|
||||||||||||||||||
| Molecular Weight |
589.693
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H39N5O6/c1-21(34-28(38)19-37-12-14-42-15-13-37)30(40)36-27(17-23-18-33-25-11-7-6-10-24(23)25)31(41)35-26(29(39)32(2)20-43-32)16-22-8-4-3-5-9-22/h3-11,18,21,26-27,33H,12-17,19-20H2,1-2H3,(H,34,38)(H,35,41)(H,36,40)/t21-,26+,27+,32-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUUBTRPMTAPXRK-LCFAYYECSA-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