ID: ALA1312974
Chembl Id: CHEMBL1312974
PubChem CID: 622563
Max Phase: Preclinical
Molecular Formula: C17H18N2O2
Molecular Weight: 282.34
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CN1c2ccc(C=O)c3c(C=O)ccc(c23)N(C)C1(C)C
Standard InChI: InChI=1S/C17H18N2O2/c1-17(2)18(3)13-7-5-11(9-20)15-12(10-21)6-8-14(16(13)15)19(17)4/h5-10H,1-4H3
Standard InChI Key: AOOHZDHSYHNXKM-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: 282.34 | Molecular Weight (Monoisotopic): 282.1368 | AlogP: 3.09 | #Rotatable Bonds: 2 |
| Polar Surface Area: 40.62 | Molecular Species: NEUTRAL | HBA: 4 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.02 | CX LogD: 3.02 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.79 | Np Likeness Score: 0.16 |
| 1. PubChem BioAssay data set, |
Source(1):
