ID: ALA4299065

Max Phase: Preclinical

Molecular Formula: C14H31Cl2NO4Te

Molecular Weight: 402.99

Molecule Type: Small molecule

Representations

Canonical SMILES:  CC#N.Cl.Cl.O[C@@H]1CCCC[C@@H]1O.O[C@@H]1CCCC[C@@H]1O.[TeH2]

Standard InChI:  InChI=1S/2C6H12O2.C2H3N.2ClH.H2Te/c2*7-5-3-1-2-4-6(5)8;1-2-3;;;/h2*5-8H,1-4H2;1H3;2*1H;1H2/t2*5-,6+;;;;

Standard InChI Key:  MRJXTYCGJRPMBL-IBGYCRMISA-N

Molecule Features

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

Properties

Molecular Weight: 402.99

Molecular Weight (Monoisotopic): 405.1159

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. PubChem BioAssay data set, 

Source

Source(1):

• PubChem BioAssays