N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine

Formula:C28H31N8OCl Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
MolecularFormula	C28H31N8OCl
Smiles	Clc1ccc(Cn2c(cccc3)c3c(/C=N\Nc3nc(N4CCOCC4)nc(N4CCCCC4)n3)c2)cc1
InChI	InChI=1S/C28H31ClN8O/c29-23-10-8-21(9-11-23)19-37-20-22(24-6-2-3-7-25(24)37)18-30-34-26-31-27(35-12-4-1-5-13-35)33-28(32-26)36-14-16-38-17-15-36/h2-3,6-11,18,20H,1,4-5,12-17,19H2,(H,31,32,33,34)
InChIK	SNAWYPLSPQMZJH-UHFFFAOYSA-N
TotalMolweight	531.062
Molweight	531.062
MonoisotopicMass	530.230934
CLogP	6.9002
CLogS	-6.144
H Acceptors	9
H Donors	1
TotalSurfaceArea	405.7
Relative PSA	0.19682
PolarSurfaceArea	83.7
Druglikeness	1.8335
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	11
Symmetricatoms	6
Aromatic Nitrogens	4
BasicNitrogens	3
StereoCon

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1 - N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine

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