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Ro24-4736

Ro24-4736 structure

CAS No:
125030-71-9
Formula:
C31H20ClN5OS
Chemical Name:
Ro24-4736
Synonyms:
Ro 24-4736;4-(2-Chlorophenyl)-9-methyl-2-[3-[(5,6-dihydro-6-oxophenanthridin)-5-yl]-1-propynyl]-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine;6(5H)-Phenanthridinone, 5-[3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-yl]-

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Ro24-4736 Basic Attributes

Molecular Weight：

546.04

Exact Mass：

545.1077091 g/mol

UNII：

I2MJ13SOFO

DSSTox ID：

DTXSID80154550

Characteristics

PSA：

91.6 Å²

Density：

1.41±0.1 g/cm3

Melting Point：

247-249 °C

Boiling Point：

819.6±75.0 °C(Predicted)

PKA：

2.10±0.40

Drug Information

MeSH Entry Terms：

5-(3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-2-propynyl)phenanthridin-6(5H)-one

Computed Properties

Molecular Weight:546.0
XLogP3:5.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:545.1077091
Monoisotopic Mass:545.1077091
Topological Polar Surface Area:91.6
Heavy Atom Count:39
Complexity:1040
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ro24-4736

Basic Attributes
Characteristics
Drug Information
Computed Properties

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