ID: ALA2271284
Chembl Id: CHEMBL2271284
PubChem CID: 76308794
Max Phase: Preclinical
Molecular Formula: C15H17ClN4O
Molecular Weight: 304.78
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCc1nc(C)nc(N(C=O)Cc2ccc(Cl)cc2)n1
Standard InChI: InChI=1S/C15H17ClN4O/c1-3-4-14-17-11(2)18-15(19-14)20(10-21)9-12-5-7-13(16)8-6-12/h5-8,10H,3-4,9H2,1-2H3
Standard InChI Key: MMOUOMNVSSJFCB-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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Molecular Weight: 304.78 | Molecular Weight (Monoisotopic): 304.1091 | AlogP: 2.95 | #Rotatable Bonds: 6 |
| Polar Surface Area: 58.98 | 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: 1.57 | CX LogP: 3.97 | CX LogD: 3.97 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.77 | Np Likeness Score: -1.11 |
| 1. KOTAKA E, OHKI S, KUBOYAMA N, OHKI A, KOIZUMI K, KOHNO H, WAKABAYASHI K. (2001) Photosynthetic Electron Transport Inhibitory and Herbicidal Activities of 2-(N-Acylbenzylamino)-4-methyl-6-fluoroalkyl-1, 3, 5-triazine Derivatives, 26 (3): [10.1584/jpestics.26.257] |
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