ID: ALA2000580
Chembl Id: CHEMBL2000580
PubChem CID: 359210
Max Phase: Preclinical
Molecular Formula: C9H17N
Molecular Weight: 139.24
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCC1CN2CCC1CC2
Standard InChI: InChI=1S/C9H17N/c1-2-8-7-10-5-3-9(8)4-6-10/h8-9H,2-7H2,1H3
Standard InChI Key: FLUIXHDAPSRKHQ-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: 139.24 | Molecular Weight (Monoisotopic): 139.1361 | AlogP: 1.74 | #Rotatable Bonds: 1 |
| Polar Surface Area: 3.24 | Molecular Species: BASE | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.36 | CX LogP: 1.66 | CX LogD: -1.19 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.53 | Np Likeness Score: 0.89 |
| 1. PubChem BioAssay data set, |
Source(1):
