General Information of the Compound
| Compound ID |
CP0866893
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-((R)-2-benzamido-3-(benzo[d][1,3]dioxol-5-yl)propanamido)-3-(1H-indol-3-yl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25N3O6
|
||||||||||||||||||
| Molecular Weight |
499.523
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H](Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25N3O6/c32-26(18-6-2-1-3-7-18)30-22(12-17-10-11-24-25(13-17)37-16-36-24)27(33)31-23(28(34)35)14-19-15-29-21-9-5-4-8-20(19)21/h1-11,13,15,22-23,29H,12,14,16H2,(H,30,32)(H,31,33)(H,34,35)/t22-,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SZJRGXOVVZCUKV-PKTZIBPZSA-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