General Property |
Molceule ID (DB) | EGIN0004811 |
Inhibitor Class | Indole |
Molecule Name in Refrence Article | 9 |
IUPAC Name | (2E)-2-[(S)-hydroxy(phenyl)methyl]-3-(1H-indol-3-yl)prop-2-enenitrile |
Formula | C18H14N2O |
Mass | 274.3166 |
Exact Mass | 274.1106131 |
Composition | C (78.81%), H (5.14%), N (10.21%), O (5.83%) |
Atom Count | 35 |
PI | 4.85 |
Smiles | c1cccc2c1c(c[nH]2)/C=C(/[C@@H](O)c1ccccc1)C#N |
InChI | 1S/C18H14N2O/c19-11-14(18(21)13-6-2-1-3-7-13)10-15-12-20-17-9-5-4-8-16(15)17/h1-10,12,18,20-21H/b14-
10+/t18-/m0/s1 |
InChIKey | PNXHNAAIRJMAHG-MDNBWPLSSA-N |
2D Structure | | Structure Backbone | |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 8667360 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PDGFR | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |