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

Formula:C30H19N5O2S Mutagenic:high Tumorigenic:low Reproductive Effective:none (5Z)-5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-2-(furan-2-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-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C30H19N5O2S
Smiles	O=C1n2nc(-c3ccco3)nc2S/C1=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1
InChI	InChI=1S/C30H19N5O2S/c36-29-27(38-30-31-28(33-35(29)30)26-12-7-17-37-26)18-20-13-15-23(16-14-20)34-25(22-10-5-2-6-11-22)19-24(32-34)21-8-3-1-4-9-21/h1-19H
InChIK	GYZXFKCSVJVCQA-UHFFFAOYSA-N
TotalMolweight	513.58
Molweight	513.58
MonoisotopicMass	513.125945
CLogP	5.2503
CLogS	-8.191
H Acceptors	7
TotalSurfaceArea	382.88
Relative PSA	0.23843
PolarSurfaceArea	104.04
Druglikeness	4.4479
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.52632
Fragments	1
Non HAtoms	38
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	33
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	5
StereoCon

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

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