2-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Formula:C19H20N7OI Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C19H20N7OI
Smiles	Ic1ccc(/C=N\Nc2nc(N3CCCCC3)nc(Nc3ccccc3)n2)o1
InChI	InChI=1S/C19H20IN7O/c20-16-10-9-15(28-16)13-21-26-18-23-17(22-14-7-3-1-4-8-14)24-19(25-18)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H2,22,23,24,25,26)
InChIK	PVEARBHGZSKAFC-UHFFFAOYSA-N
TotalMolweight	489.316
Molweight	489.316
MonoisotopicMass	489.077406
CLogP	6.3491
CLogS	-6.366
H Acceptors	8
H Donors	2
TotalSurfaceArea	318.31
Relative PSA	0.26704
PolarSurfaceArea	91.47
Druglikeness	4.7897
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 2-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

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