N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

Formula:C22H24N7O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is not a drug-like molecule.

MolNameN-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
MolecularFormulaC22H24N7O3Cl
SmilesClc1cc(-c2ccc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)ccc1
InChIInChI=1S/C22H24ClN7O3/c23-17-3-1-2-16(14-17)19-5-4-18(33-19)15-24-28-20-25-21(29-6-10-31-11-7-29)27-22(26-20)30-8-12-32-13-9-30/h1-5,14-15H,6-13H2,(H,25,26,27,28)
InChIKBQZDAJIRHGUYPO-UHFFFAOYSA-N
TotalMolweight469.932
Molweight469.932
MonoisotopicMass469.162915
CLogP5.1454
CLogS-5.737
H Acceptors10
H Donors1
TotalSurfaceArea354.07
Relative PSA0.27421
PolarSurfaceArea101.14
Druglikeness5.1983
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51515
Fragments1
Non HAtoms33
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms10
Symmetricatoms10
Aromatic Nitrogens3
BasicNitrogens3
StereoCon

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