ID: ALA1531705
Chembl Id: CHEMBL1531705
PubChem CID: 1225717
Max Phase: Preclinical
Molecular Formula: C14H12N2OS2
Molecular Weight: 288.40
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1nc(NC(=O)c2csc3ccccc23)sc1C
Standard InChI: InChI=1S/C14H12N2OS2/c1-8-9(2)19-14(15-8)16-13(17)11-7-18-12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H,15,16,17)
Standard InChI Key: SGORBAQMQITZST-UHFFFAOYSA-N
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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 |
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| Molecular Weight: 288.40 | Molecular Weight (Monoisotopic): 288.0391 | AlogP: 4.23 | #Rotatable Bonds: 2 |
| Polar Surface Area: 41.99 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 10.60 | CX Basic pKa: 0.32 | CX LogP: 4.06 | CX LogD: 4.06 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.77 | Np Likeness Score: -2.45 |
| 1. PubChem BioAssay data set, |
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