General Information of the Compound
| Compound ID |
CP0519739
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-1-((S)-3-(4-hydroxyphenyl)-2-(4-oxo-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-ylamino)butanamido)propanoyl)pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C44H53N7O12
|
||||||||||||||||||
| Molecular Weight |
871.945
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C44H53N7O12/c45-40(59)30(19-24-7-2-1-3-8-24)48-41(60)31(21-26-22-46-29-10-5-4-9-28(26)29)49-42(61)33-11-6-18-51(33)44(62)32(20-25-12-14-27(53)15-13-25)47-35(54)16-17-36(55)50-43-39(58)38(57)37(56)34(23-52)63-43/h1-5,7-10,12-15,22,30-34,37-39,43,46,52-53,56-58H,6,11,16-21,23H2,(H2,45,59)(H,47,54)(H,48,60)(H,49,61)(H,50,55)/t30-,31-,32-,33-,34+,37+,38-,39+,43+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHIFIDPWHSQGON-ZKZHZIGFSA-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