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AuroraKinaseInhibitorIII

AuroraKinaseInhibitorIII structure

CAS No:
879127-16-9
Formula:
C21H18F3N5O
Chemical Name:
AuroraKinaseInhibitorIII
Synonyms:
Aurora Kinase Inhibitor III;Aurora Kinase Inhibitor 3;2np8;N-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide;CHEMBL383899;AKI-7169;N-[3-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]cyclopropanecarboxamide;Cyclopropanecarboxylic acid-(3-(4-(3-trifluoromethyl-phenylamino)-pyrimidin-2-ylamino)-phenyl)-amide;Anilinopyrimidine1;N-[3-[[4-[[3-(trifluoromethyl)phenyl]amino]-2-pyrimidinyl]amino]phenyl]-cyclopropanecarboxamide
Categories:
Organic Chemistry > Amides

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AuroraKinaseInhibitorIII Basic Attributes

Molecular Weight：

413.401

Exact Mass：

413.146

UNII：

E9Q3ZU9CRL

DSSTox ID：

DTXSID20429557

HScode：

2933599090

Characteristics

PSA：

78.9

XLogP3：

4.5

Appearance：

white

Density：

1.456±0.06 g/cm3(Predicted)

Water Solubility：

H2O: <2mg/mL

Storage Conditions：

2-8°C

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

C 1368

Computed Properties

Molecular Weight:413.4
XLogP3:4.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:413.14634470
Monoisotopic Mass:413.14634470
Topological Polar Surface Area:78.9
Heavy Atom Count:30
Complexity:586
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes