N-[(Z)-[4-[[6-[(2-fluorobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]-3-nitrophenyl]methylideneamino]pyridine-4-carboxamide

Formula:C27H17N6O4FS2 Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(Z)-[4-[[6-[(2-fluorobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]-3-nitrophenyl]methylideneamino]pyridine-4-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-[4-[[6-[(2-fluorobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]-3-nitrophenyl]methylideneamino]pyridine-4-carboxamide
MolecularFormula	C27H17N6O4FS2
Smiles	[O-][N+](c(cc(/C=N\NC(c1ccncc1)=O)cc1)c1Sc1nc(ccc(NC(c(cccc2)c2F)=O)c2)c2s1)=O
InChI	InChI=1S/C27H17FN6O4S2/c28-20-4-2-1-3-19(20)26(36)31-18-6-7-21-24(14-18)40-27(32-21)39-23-8-5-16(13-22(23)34(37)38)15-30-33-25(35)17-9-11-29-12-10-17/h1-15H,(H,31,36)(H,33,35)
InChIK	ILJBSOOHXKRLDW-UHFFFAOYSA-N
TotalMolweight	572.6
Molweight	572.6
MonoisotopicMass	572.073672
CLogP	4.8504
CLogS	-7.834
H Acceptors	10
H Donors	2
TotalSurfaceArea	411.29
Relative PSA	0.36646
PolarSurfaceArea	195.7
Druglikeness	-1.3862
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	40
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - N-[(Z)-[4-[[6-[(2-fluorobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]-3-nitrophenyl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[4-[[6-[(2-fluorobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]-3-nitrophenyl]methylideneamino]pyridine-4-carboxamide

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