N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine

Formula:C25H29N6OCl Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine is not a drug-like molecule.

MolName	N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
MolecularFormula	C25H29N6OCl
Smiles	Clc(cc1)ccc1-c1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)c2)o1
InChI	InChI=1S/C25H29ClN6O/c26-20-9-7-19(8-10-20)22-12-11-21(33-22)18-27-30-23-17-24(31-13-3-1-4-14-31)29-25(28-23)32-15-5-2-6-16-32/h7-12,17-18H,1-6,13-16H2,(H,28,29,30)
InChIK	KMYIXAYGATUCDI-UHFFFAOYSA-N
TotalMolweight	464.999
Molweight	464.999
MonoisotopicMass	464.209136
CLogP	7.5609
CLogS	-7.646
H Acceptors	7
H Donors	1
TotalSurfaceArea	362.83
Relative PSA	0.18223
PolarSurfaceArea	69.79
Druglikeness	4.3347
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	10
Symmetricatoms	6
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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