ID: ALA1308993
Chembl Id: CHEMBL1308993
PubChem CID: 2402693
Max Phase: Preclinical
Molecular Formula: C10H16N2O4S2
Molecular Weight: 292.38
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: COCCOC(=O)c1sc(=S)n(CCOC)c1N
Standard InChI: InChI=1S/C10H16N2O4S2/c1-14-4-3-12-8(11)7(18-10(12)17)9(13)16-6-5-15-2/h3-6,11H2,1-2H3
Standard InChI Key: DWFOHUAXYUCJHH-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: 292.38 | Molecular Weight (Monoisotopic): 292.0551 | AlogP: 1.31 | #Rotatable Bonds: 7 |
| Polar Surface Area: 75.71 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 0.97 | CX LogD: 0.97 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.46 | Np Likeness Score: -1.75 |
| 1. PubChem BioAssay data set, |
Source(1):
