polysulfonated derivative

ID: ALA2093120

PubChem CID: 70691298

Max Phase: Preclinical

Molecular Formula: C12H22O35S8

Molecular Weight: 982.81

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

This compound is not in our inventory system

Names and Identifiers

Canonical SMILES: O=S(=O)(O)OC[C@@H]1O[C@H](O[C@H]2[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C(OS(=O)(=O)O)O[C@H]2COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

Standard InChI: InChI=1S/C12H22O35S8/c13-48(14,15)37-1-3-5(7(43-51(22,23)24)10(46-54(31,32)33)12(40-3)47-55(34,35)36)41-11-9(45-53(28,29)30)8(44-52(25,26)27)6(42-50(19,20)21)4(39-11)2-38-49(16,17)18/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t3-,4-,5+,6-,7-,8+,9-,10-,11+,12?/m0/s1

Standard InChI Key: CYHQOPDVWXHUIS-ZHTHYQTRSA-N

Molfile:

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M  END

Associated Targets(Human)

FGF1 Tchem Acidic fibroblast growth factor (146 Activities)

Discover Target: FGF1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FGF2 Tchem Basic fibroblast growth factor (185 Activities)

Discover Target: FGF2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

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

Calculated Properties

Molecular Weight: 982.81	Molecular Weight (Monoisotopic): 981.7707	AlogP: -6.78	#Rotatable Bonds: 20
Polar Surface Area: 536.49	Molecular Species: ACID	HBA: 27	HBD: 8
#RO5 Violations: 3	HBA (Lipinski): 35	HBD (Lipinski): 8	#RO5 Violations (Lipinski): 3
CX Acidic pKa: -3.41	CX Basic pKa: ┄	CX LogP: -4.26	CX LogD: -23.27
Aromatic Rings: ┄	Heavy Atoms: 55	QED Weighted: 0.05	Np Likeness Score: 0.70

polysulfonated derivative

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source