ID: ALA2368229

Max Phase: Preclinical

Molecular Formula: C60H100O14Si2

Molecular Weight: 1101.62

Molecule Type: Unknown

Representations

Canonical SMILES:  CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2

Standard InChI:  InChI=1S/C60H100O14Si2/c1-21-35(2)51-38(5)27-28-59(72-51)33-44-30-43(71-59)26-25-37(4)50(36(3)23-22-24-42-34-65-55-52(73-75(17,18)57(9,10)11)39(6)29-45(56(61)68-44)60(42,55)62)69-48-31-46(63-15)53(40(7)66-48)70-49-32-47(64-16)54(41(8)67-49)74-76(19,20)58(12,13)14/h22-25,27-29,35-36,38,40-41,43-55,62H,21,26,30-34H2,1-20H3/b23-22+,37-25+,42-24+/t35-,36-,38-,40-,41-,43+,44-,45-,46+,47+,48-,49-,50-,51+,52+,53-,54-,55+,59+,60+/m0/s1

Standard InChI Key:  DEQDHRIBEMNOJS-NRJQPXADSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 1101.62

Molecular Weight (Monoisotopic): 1100.6652

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. Mrozik H, Eskola P, Fisher MH, Egerton JR, Cifelli S, Ostlind DA..  (1982)  Avermectin acyl derivatives with anthelmintic activity.,  25  (6): [PMID:7097720] [10.1021/jm00348a010]

Source

Source(1):

• Scientific Literature