ID: ALA5089382
Chembl Id: CHEMBL5089382
Max Phase: Preclinical
Molecular Formula: C16H17F6N2P
Molecular Weight: 236.32
Molecule Type: Unknown
Associated Items:
Canonical SMILES: Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.F[PH](F)(F)(F)(F)F
Standard InChI: InChI=1S/C16H16N2.F6HP/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15;1-7(2,3,4,5)6/h5-8H,1-4H3;7H
Standard InChI Key: BUYYZRCGYYULBW-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 |
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| Molecular Weight: 236.32 | Molecular Weight (Monoisotopic): 236.1313 | AlogP: 4.02 | #Rotatable Bonds: 0 |
| Polar Surface Area: 25.78 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.06 | CX LogP: 4.34 | CX LogD: 4.32 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.55 | Np Likeness Score: -0.07 |
| 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] |
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