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SID29215874 ID: ALA1315346
Chembl Id: CHEMBL1315346
PubChem CID: 17756887
Max Phase: Preclinical
Molecular Formula: C19H24F3NO6SSi
Molecular Weight: 479.55
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCOC(=O)C1=C([Si](C)(C)C)c2ccccc2N(S(=O)(=O)C(F)(F)F)C1C(=O)OCC
Standard InChI: InChI=1S/C19H24F3NO6SSi/c1-6-28-17(24)14-15(18(25)29-7-2)23(30(26,27)19(20,21)22)13-11-9-8-10-12(13)16(14)31(3,4)5/h8-11,15H,6-7H2,1-5H3
Standard InChI Key: HHTJYDSDDYSLIB-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 479.55Molecular Weight (Monoisotopic): 479.1046AlogP: ┄#Rotatable Bonds: ┄Polar Surface Area: ┄Molecular Species: ┄HBA: ┄HBD: ┄#RO5 Violations: ┄HBA (Lipinski): ┄HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: ┄CX LogD: ┄Aromatic Rings: ┄Heavy Atoms: ┄QED Weighted: ┄Np Likeness Score: ┄
References 1. PubChem BioAssay data set,
