BIAdb CID631266 1773

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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1773 Link to BIAdb Database]
[http://crdd.osdd.net/raghava/biadb/detail.php?id=1773 Link to BIAdb Database]
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[[Category:BIAdb]]

Current revision

Show 3-D Structure

Show 2-D Structure

{{Drugbox | IUPAC_name =1-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]-6,7-bis(phenylmethoxy)-1,2,3,4-tetrahydroisoquinoline | PubChem = 631266 | DrugBank = | ChemSpiderID = | chemical_formula =C38H37NO4 | molecular_weight = 571.70468 | smiles = COC1=C(C=CC(=C1)CC2C3=CC(=C(C=C3CCN2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6 | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}

Contents

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

571.70468

*Exact Mass

571.272259

*Molecular Formula

C38H37NO4

*IUPAC NAME

1-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]-6,7-bis(phenylmethoxy)-1,2,3,4-tetrahydroisoquinoline

*Canonical Smiles

COC1=C(C=CC(=C1)CC2C3=CC(=C(C=C3CCN2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

*Isomeric Smiles

N/A

*XLogP

7.7

*Hydrogen bond donor

1

*Hydrogen bond acceptor

5

*Rotational Bond Count

12

*Topological Polar Surface Area

49

[edit] External Links

Link to BIAdb Database