ID: ALA1889577
Chembl Id: CHEMBL1889577
Cas Number: 32812-41-2
PubChem CID: 283218
Max Phase: Preclinical
Molecular Formula: C20H17N3
Molecular Weight: 299.38
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: N#Cc1ccc(CN(Nc2ccccc2)c2ccccc2)cc1
Standard InChI: InChI=1S/C20H17N3/c21-15-17-11-13-18(14-12-17)16-23(20-9-5-2-6-10-20)22-19-7-3-1-4-8-19/h1-14,22H,16H2
Standard InChI Key: ZTYYHJACKMBDSJ-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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Molecular Weight: 299.38 | Molecular Weight (Monoisotopic): 299.1422 | AlogP: 4.59 | #Rotatable Bonds: 5 |
| Polar Surface Area: 39.06 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 1.29 | CX LogP: 5.39 | CX LogD: 5.39 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.70 | Np Likeness Score: -1.19 |
| 1. PubChem BioAssay data set, |
Source(1):
