ID: ALA1888528
Chembl Id: CHEMBL1888528
PubChem CID: 5335153
Max Phase: Preclinical
Molecular Formula: C15H20N6
Molecular Weight: 284.37
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CN(C)c1cc(N/N=C\c2ccccc2)nc(N(C)C)n1
Standard InChI: InChI=1S/C15H20N6/c1-20(2)14-10-13(17-15(18-14)21(3)4)19-16-11-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,17,18,19)/b16-11-
Standard InChI Key: APGLINRJTWKNDT-WJDWOHSUSA-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: 284.37 | Molecular Weight (Monoisotopic): 284.1749 | AlogP: 2.05 | #Rotatable Bonds: 5 |
| Polar Surface Area: 56.65 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 5.23 | CX LogP: 3.96 | CX LogD: 3.96 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.67 | Np Likeness Score: -1.60 |
| 1. PubChem BioAssay data set, |
| 2. PubChem BioAssay data set, |
Source(1):
