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ID: ALA289651
Max Phase: Preclinical
Molecular Formula: C19H26N2O2
Molecular Weight: 314.43
Molecule Type: Small molecule
Associated Items:
ID: ALA289651
Max Phase: Preclinical
Molecular Formula: C19H26N2O2
Molecular Weight: 314.43
Molecule Type: Small molecule
Associated Items:
Synonyms (1): SUAM-1221
Synonyms from Alternative Forms(1):
Canonical SMILES: O=C([C@@H]1CCCN1C(=O)CCCc1ccccc1)N1CCCC1
Standard InChI: InChI=1S/C19H26N2O2/c22-18(12-6-10-16-8-2-1-3-9-16)21-15-7-11-17(21)19(23)20-13-4-5-14-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1
Standard InChI Key: HDRSLHFTJYMQIL-KRWDZBQOSA-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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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Molecular Weight: 314.43 | Molecular Weight (Monoisotopic): 314.1994 | AlogP: 2.62 | #Rotatable Bonds: 5 |
Polar Surface Area: 40.62 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
#RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.28 | CX LogD: 2.28 |
Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.84 | Np Likeness Score: -0.98 |
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