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ID: ALA5080118
Max Phase: Preclinical
Molecular Formula: C12H8F6N3O2P
Molecular Weight: 225.21
Molecule Type: Unknown
Associated Items:
ID: ALA5080118
Max Phase: Preclinical
Molecular Formula: C12H8F6N3O2P
Molecular Weight: 225.21
Molecule Type: Unknown
Associated Items:
Canonical SMILES: F[PH](F)(F)(F)(F)F.O=[N+]([O-])c1cc2cccnc2c2ncccc12
Standard InChI: InChI=1S/C12H7N3O2.F6HP/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12;1-7(2,3,4,5)6/h1-7H;7H
Standard InChI Key: GMNMBHPXAKTOKX-UHFFFAOYSA-N
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Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: Unknown | 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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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Molecular Weight: 225.21 | Molecular Weight (Monoisotopic): 225.0538 | AlogP: 2.69 | #Rotatable Bonds: 1 |
Polar Surface Area: 68.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
#RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: | CX Basic pKa: 1.79 | CX LogP: 2.23 | CX LogD: 2.23 |
Aromatic Rings: 3 | Heavy Atoms: 17 | QED Weighted: 0.36 | Np Likeness Score: -0.91 |
1. Zhao Z, Li X, Cui Z, Tong T, Zhang Y, Zhang Y, Yang X, Keerthiga R, Fu C, Fu A.. (2022) Synthesis of Hemiprotonic Phenanthroline-Phenanthroline+ Compounds with both Antitumor and Antimicrobial Activity., 65 (3.0): [PMID:35073076] [10.1021/acs.jmedchem.1c01982] |
Source(1):