CAS
92880-79-0 Purity
96%
92880-79-0 Purity
96%
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15-Lipoxygenase inhibitor i
CAS
928853-86-5
Catalog Number
ACM928853865
Category
Other Products
Molecular Weight
313.420560 [g/mol]
Molecular Formula
C16H19N5S
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Specification
Synonyms
CHEMBL437540, CTK8E8463, 928853-86-5
IUPAC Name
4-methyl-2-(4-methylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]benzothiazine
SMILES
CC1=C2C(=NC(=N1)N3CCN(CC3)C)SC4=CC=CC=C4N2
InChI Key
HYPHGMNLWIKEMB-UHFFFAOYSA-N
Exact Mass
313.13600
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of the 15-Lipoxygenase inhibitor?
The molecular formula is C16H19N5S.
When was the 15-Lipoxygenase inhibitor created and modified?
It was created on 2009-11-19 and last modified on 2023-12-30.
What is the IUPAC name of the 15-Lipoxygenase inhibitor?
The IUPAC name is 4-methyl-2-(4-methylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]benzothiazine.
What is the InChI of the 15-Lipoxygenase inhibitor?
The InChI is InChI=1S/C16H19N5S/c1-11-14-15(22-13-6-4-3-5-12(13)18-14)19-16(17-11)21-9-7-20(2)8-10-21/h3-6,18H,7-10H2,1-2H3.
What is the Canonical SMILES of the 15-Lipoxygenase inhibitor?
The Canonical SMILES is CC1=C2C(=NC(=N1)N3CCN(CC3)C)SC4=CC=CC=C4N2.
What is the XLogP3-AA value of the 15-Lipoxygenase inhibitor?
The XLogP3-AA value is 3.2.
How many Hydrogen Bond Donor Count does the 15-Lipoxygenase inhibitor have?
It has 1 Hydrogen Bond Donor Count.
What is the topological polar surface area of the 15-Lipoxygenase inhibitor?
The topological polar surface area is 69.6 Ų.
How many defined atom stereocenter counts does the 15-Lipoxygenase inhibitor have?
It has 0 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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