2-hydroxy-N-[(Z)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminobenzamide

Formula:C21H15N5O3S Mutagenic:low Tumorigenic:high Reproductive Effective:high 2-hydroxy-N-[(Z)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminobenzamide is a drug-like molecule.

MolName	2-hydroxy-N-[(Z)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminobenzamide
MolecularFormula	C21H15N5O3S
Smiles	Oc(cccc1)c1C(/N=N/C=C(/C(N(C=C1)C=CC1=C1C=CNC=C1)=N1)\SC1=O)=O
InChI	InChI=1S/C21H15N5O3S/c27-17-4-2-1-3-16(17)20(28)25-23-13-18-19(24-21(29)30-18)26-11-7-15(8-12-26)14-5-9-22-10-6-14/h1-13,22,27H
InChIK	KNROROZHIHWLFP-UHFFFAOYSA-N
TotalMolweight	417.448
Molweight	417.448
MonoisotopicMass	417.08956
CLogP	0.8216
CLogS	-4.768
H Acceptors	8
H Donors	2
TotalSurfaceArea	313.48
Relative PSA	0.33881
PolarSurfaceArea	132.02
Druglikeness	-3.5962
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	azo
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	4
BasicNitrogens	2
StereoCon

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1 - 2-hydroxy-N-[(Z)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminobenzamide | 2 - 2-hydroxy-N-[(Z)-[2-oxo-4-[4-(1H-pyridin-4-ylidene)pyridin-1-yl]-1,3-thiazol-5-ylidene]methyl]iminobenzamide

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