(5S)-4,7-diamino-5-(5-bromo-2-fluorophenyl)-2-methylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

Formula:C15H11N5OBrFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5S)-4,7-diamino-5-(5-bromo-2-fluorophenyl)-2-methylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile is a drug-like molecule.

MolName	(5S)-4,7-diamino-5-(5-bromo-2-fluorophenyl)-2-methylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
MolecularFormula	C15H11N5OBrFS
Smiles	CSc1nc(OC(N)=C([C@@H]2c(cc(cc3)Br)c3F)C#N)c2c(N)n1
InChI	InChI=1S/C15H11BrFN5OS/c1-24-15-21-12(19)11-10(7-4-6(16)2-3-9(7)17)8(5-18)13(20)23-14(11)22-15/h2-4,10H,20H2,1H3,(H2,19,21,22)/t10-/m0/s1
InChIK	GPNPTGSXCGGYCJ-JTQLQIEISA-N
TotalMolweight	408.254
Molweight	408.254
MonoisotopicMass	406.985169
CLogP	2.3894
CLogS	-6.852
H Acceptors	6
H Donors	2
TotalSurfaceArea	255.94
Relative PSA	0.36544
PolarSurfaceArea	136.14
Druglikeness	-7.9501
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	this enantiomer

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1 - (5S)-4,7-diamino-5-(5-bromo-2-fluorophenyl)-2-methylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile | 2 - (5S)-4,7-diamino-5-(5-bromo-2-fluorophenyl)-2-methylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

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