ID: ALA1571603
Chembl Id: CHEMBL1571603
PubChem CID: 12005722
Max Phase: Preclinical
Molecular Formula: C17H34BrN
Molecular Weight: 252.47
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: C#CC[N+](C)(C)CCCCCCCCCCCC.[Br-]
Standard InChI: InChI=1S/C17H34N.BrH/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2;/h2H,5,7-17H2,1,3-4H3;1H/q+1;/p-1
Standard InChI Key: GNTUSPJOWIULPK-UHFFFAOYSA-M
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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: 252.47 | Molecular Weight (Monoisotopic): 252.2686 | AlogP: 4.62 | #Rotatable Bonds: 12 |
| Polar Surface Area: 0.00 | Molecular Species: NEUTRAL | HBA: ┄ | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 1 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 1.14 | CX LogD: 1.14 |
| Aromatic Rings: ┄ | Heavy Atoms: 18 | QED Weighted: 0.27 | Np Likeness Score: 0.30 |
| 1. PubChem BioAssay data set, |
Source(1):
