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EMD 534085

EMD 534085 structure

CAS No:
858668-07-2
Formula:
C25H31F3N4O2
Chemical Name:
EMD 534085
Synonyms:
EMD 534085;N-[2-(Dimethylamino)ethyl]-N'-[[(2R,4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-5-phenyl-9-(trifluoromethyl)-2H-pyrano[3,2-c]quinolin-2-yl]methyl]urea

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Description

EMD534085 is a potent and selective inhibitor of the mitotic kinesin-5 with an IC50 of 8 nM.

EMD 534085 Basic Attributes

Molecular Weight：

476.5344496

Exact Mass：

476.239899

UNII：

AL67QX8036

DSSTox ID：

DTXSID90235147

HScode：

2934999090

Characteristics

PSA：

65.6

XLogP3：

3.08

Density：

1.2±0.1 g/cm3

Boiling Point：

609.5±55.0 °C at 760 mmHg

Flash Point：

322.4±31.5 °C

Refractive Index：

1.532

Drug Information

MeSH Entry Terms：

EMD 534085

Computed Properties

Molecular Weight:476.5
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:476.23991073
Monoisotopic Mass:476.23991073
Topological Polar Surface Area:65.6
Heavy Atom Count:34
Complexity:671
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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129049-51-0

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Guide of EMD 534085

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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EMD 534085

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