ID: ALA1501990
Chembl Id: CHEMBL1501990
Cas Number: 39253-50-4
PubChem CID: 3237318
Max Phase: Preclinical
Molecular Formula: C16H11NO4
Molecular Weight: 281.27
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(NC1(O)C(=O)c2ccccc2C1=O)c1ccccc1
Standard InChI: InChI=1S/C16H11NO4/c18-13-11-8-4-5-9-12(11)14(19)16(13,21)17-15(20)10-6-2-1-3-7-10/h1-9,21H,(H,17,20)
Standard InChI Key: FICSYWUBABJDHB-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: 281.27 | Molecular Weight (Monoisotopic): 281.0688 | AlogP: 1.18 | #Rotatable Bonds: 2 |
| Polar Surface Area: 83.47 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 9.68 | CX Basic pKa: ┄ | CX LogP: 2.02 | CX LogD: 2.02 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.64 | Np Likeness Score: -0.03 |
| 1. PubChem BioAssay data set, |
Source(1):
