ID: ALA1432993
Chembl Id: CHEMBL1432993
PubChem CID: 24819058
Max Phase: Preclinical
Molecular Formula: C9H7ClFN5O
Molecular Weight: 255.64
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(Nc1ccc(F)c(Cl)c1)Nn1cnnc1
Standard InChI: InChI=1S/C9H7ClFN5O/c10-7-3-6(1-2-8(7)11)14-9(17)15-16-4-12-13-5-16/h1-5H,(H2,14,15,17)
Standard InChI Key: YXRQDOKFWLOPIV-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: 255.64 | Molecular Weight (Monoisotopic): 255.0323 | AlogP: 1.85 | #Rotatable Bonds: 2 |
| Polar Surface Area: 71.84 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 11.44 | CX Basic pKa: 1.19 | CX LogP: 0.29 | CX LogD: 0.29 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.86 | Np Likeness Score: -2.62 |
| 1. PubChem BioAssay data set, |
Source(1):
