ID: ALA1470891
Chembl Id: CHEMBL1470891
Cas Number: 477712-33-7
PubChem CID: 1477266
Max Phase: Preclinical
Molecular Formula: C16H9Cl2FN2O2
Molecular Weight: 351.16
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(F)cc2)n1
Standard InChI: InChI=1S/C16H9Cl2FN2O2/c17-12-6-1-9(7-13(12)18)15-8-14(16(22)23)20-21(15)11-4-2-10(19)3-5-11/h1-8H,(H,22,23)
Standard InChI Key: GZXXYOGQURAPNS-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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Molecular Weight: 351.16 | Molecular Weight (Monoisotopic): 350.0025 | AlogP: 4.68 | #Rotatable Bonds: 3 |
| Polar Surface Area: 55.12 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 3.16 | CX Basic pKa: ┄ | CX LogP: 5.02 | CX LogD: 1.57 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.75 | Np Likeness Score: -1.65 |
| 1. PubChem BioAssay data set, |
Source(1):
