(6Z)-2-cyclohexyl-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C27H24N5OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-2-cyclohexyl-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-cyclohexyl-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C27H24N5OFS
Smiles	N=C(/C1=C/c2cn(Cc(cccc3)c3F)c3c2cccc3)N2N=C(C3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C27H24FN5OS/c28-22-12-6-4-10-18(22)15-32-16-19(20-11-5-7-13-23(20)32)14-21-24(29)33-27(30-25(21)34)35-26(31-33)17-8-2-1-3-9-17/h4-7,10-14,16-17,29H,1-3,8-9,15H2
InChIK	AAHJJDFGNDJHFO-UHFFFAOYSA-N
TotalMolweight	485.586
Molweight	485.586
MonoisotopicMass	485.168558
CLogP	3.5348
CLogS	-4.454
H Acceptors	6
H Donors	1
TotalSurfaceArea	354.23
Relative PSA	0.22463
PolarSurfaceArea	99.11
Druglikeness	-0.12969
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	8
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - (6Z)-2-cyclohexyl-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-2-cyclohexyl-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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