(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C31H20N6OS Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is not a drug-like molecule.

MolName	(5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C31H20N6OS
Smiles	O=C1n2nc(-c3ccncc3)nc2S/C1=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C31H20N6OS/c38-30-28(39-31-33-29(35-37(30)31)24-15-17-32-18-16-24)19-21-11-13-25(14-12-21)36-27(23-9-5-2-6-10-23)20-26(34-36)22-7-3-1-4-8-22/h1-20H
InChIK	NHSOXRRZZKIUNU-UHFFFAOYSA-N
TotalMolweight	524.607
Molweight	524.607
MonoisotopicMass	524.141929
CLogP	5.0237
CLogS	-8.046
H Acceptors	7
TotalSurfaceArea	391.95
Relative PSA	0.2249
PolarSurfaceArea	103.79
Druglikeness	4.7715
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	34
Sp3Atoms	1
Symmetricatoms	8
Aromatic Nitrogens	6
StereoCon

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1 - (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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