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ID: ALA3426176
Chembl Id: CHEMBL3426176
PubChem CID: 118736984
Max Phase: Preclinical
Molecular Formula: C29H16N2O6S
Molecular Weight: 520.52
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3C(=O)NC4(C3=O)c3ccccc3-c3ccccc34)ccc21
Standard InChI: InChI=1S/C29H16N2O6S/c32-25-19-9-1-2-10-20(19)26(33)22-15-16(13-14-21(22)25)38(36,37)31-27(34)29(30-28(31)35)23-11-5-3-7-17(23)18-8-4-6-12-24(18)29/h1-15H,(H,30,35)
Standard InChI Key: IVVSZISTSPYROV-UHFFFAOYSA-N
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
Chirality: No | Availability: No | Prodrug: No |
Molecular Weight: 520.52 | Molecular Weight (Monoisotopic): 520.0729 | AlogP: 3.63 | #Rotatable Bonds: 2 |
Polar Surface Area: 117.69 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
#RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
CX Acidic pKa: 9.26 | CX Basic pKa: ┄ | CX LogP: 4.37 | CX LogD: 4.36 |
Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.36 | Np Likeness Score: -0.34 |
1. Iqbal Z, Hameed S, Ali S, Tehseen Y, Shahid M, Iqbal J.. (2015) Synthesis, characterization, hypoglycemic and aldose reductase inhibition activity of arylsulfonylspiro[fluorene-9,5'-imidazolidine]-2',4'-diones., 98 [PMID:26005026] [10.1016/j.ejmech.2015.05.011] |
Source(1):