ID: ALA1367466
Chembl Id: CHEMBL1367466
PubChem CID: 24791374
Max Phase: Preclinical
Molecular Formula: C24H23N3O3
Molecular Weight: 401.47
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCc1ccc(CN(C)C(=O)c2cc(COc3cccc4cnccc34)on2)cc1
Standard InChI: InChI=1S/C24H23N3O3/c1-3-17-7-9-18(10-8-17)15-27(2)24(28)22-13-20(30-26-22)16-29-23-6-4-5-19-14-25-12-11-21(19)23/h4-14H,3,15-16H2,1-2H3
Standard InChI Key: TYCPDKYZBBCGJJ-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: 401.47 | Molecular Weight (Monoisotopic): 401.1739 | AlogP: 4.64 | #Rotatable Bonds: 7 |
| Polar Surface Area: 68.46 | Molecular Species: NEUTRAL | HBA: 5 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 4.56 | CX LogP: 3.96 | CX LogD: 3.96 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.45 | Np Likeness Score: -1.71 |
| 1. PubChem BioAssay data set, |
Source(1):
