N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

Formula:C22H28N7Br Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C22H28N7Br
Smiles	Brc1ccc(/C=C/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChI	InChI=1S/C22H28BrN7/c23-19-11-9-18(10-12-19)8-7-13-24-28-20-25-21(29-14-3-1-4-15-29)27-22(26-20)30-16-5-2-6-17-30/h7-13H,1-6,14-17H2,(H,25,26,27,28)
InChIK	QELOVIDKODOURN-UHFFFAOYSA-N
TotalMolweight	470.417
Molweight	470.417
MonoisotopicMass	469.158954
CLogP	6.672
CLogS	-6.445
H Acceptors	7
H Donors	1
TotalSurfaceArea	341.85
Relative PSA	0.18423
PolarSurfaceArea	69.54
Druglikeness	0.97527
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

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