ID: ALA1421993
Chembl Id: CHEMBL1421993
PubChem CID: 135449221
Max Phase: Preclinical
Molecular Formula: C14H12N2O3
Molecular Weight: 256.26
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1nc2ccccc2n2c(O)c(CC(=O)O)cc12
Standard InChI: InChI=1S/C14H12N2O3/c1-8-12-6-9(7-13(17)18)14(19)16(12)11-5-3-2-4-10(11)15-8/h2-6,19H,7H2,1H3,(H,17,18)
Standard InChI Key: FONFTLOPBJYBRD-UHFFFAOYSA-N
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| Natural Product: Yes | 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: 256.26 | Molecular Weight (Monoisotopic): 256.0848 | AlogP: 2.13 | #Rotatable Bonds: 2 |
| Polar Surface Area: 74.83 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 4.09 | CX Basic pKa: ┄ | CX LogP: 1.35 | CX LogD: -1.76 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.74 | Np Likeness Score: -0.72 |
| 1. PubChem BioAssay data set, |
Source(1):
