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MCULE-6726457155-0

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mcule product ID	Supplier	Catalog	Guaranteed purity (%)	Product matching	Availability
P-675529076	Innovapharm	Virtual Screening Compounds	90	As is	by synthesis
P-675391257	Innovapharm	Screening Compounds	90	As is	in stock
P-675256691	Innovapharm	Virtual Building Blocks	95	Main component as a main component	by synthesis
P-675529075	Innovapharm	Virtual Screening Compounds	90	Main component as a main component	by synthesis
P-675385769	Innovapharm	Screening Compounds	90	Main component as a main component	in stock
P-675477248	Innovapharm	Screening Compounds	90	Main component as a main component	in stock
P-675486765	Innovapharm	Building Blocks	95	Main component as a main component	in stock

Property	Value
Components	2
Mass	467.708
logP	2.0544
H-bond acceptors	9
H-bond donors	1
Rotatable bonds	5
PSA	94.73
RO5 violations	0
RO3 violations	4
Refractivity	116.3889
Atoms	53
Rings	3
Heavy atoms	27
Hydrogen atoms	26
Heteroatoms	13
N/O atoms	9
Inorganic atoms	0
Halogen atoms	3
Chiral centers	0
R/S chiral centers	0
Unknown chiral centers	0
Undefined chiral centers	0
Stereo double bonds	0
Cis/trans stereo double bonds	0
Unknown stereo double bonds	0
Undefined stereo double bonds	0