71-44-3 Purity
98.36%
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Specification
The molecular formula of BI 2536 is C28H39N7O3.
BI 2536 was first created on October 26, 2006.
The molecular weight of BI 2536 is 521.7 g/mol.
The IUPAC name of BI 2536 is 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide.
The InChIKey of BI 2536 is XQVVPGYIWAGRNI-JOCHJYFZSA-N.
The canonical SMILES of BI 2536 is CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C.
The CAS number of BI 2536 is 755038-02-9.
The ChEMBL ID of BI 2536 is CHEMBL513909.
BI 2536 has 8 hydrogen bond acceptors.
The topological polar surface area of BI 2536 is 103 Å2.