N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromo-2-thiophen-2-ylquinoline-4-carboxamide

Formula:C21H19N4OBrS Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromo-2-thiophen-2-ylquinoline-4-carboxamide is a drug-like molecule.

MolName	N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromo-2-thiophen-2-ylquinoline-4-carboxamide
MolecularFormula	C21H19N4OBrS
Smiles	O=C(c1c(cc(cc2)Br)c2nc(-c2cccs2)c1)N/N=C1/C(CC2)CCN2C1
InChI	InChI=1S/C21H19BrN4OS/c22-14-3-4-17-15(10-14)16(11-18(23-17)20-2-1-9-28-20)21(27)25-24-19-12-26-7-5-13(19)6-8-26/h1-4,9-11,13H,5-8,12H2,(H,25,27)
InChIK	SUWXOTLFRMTSNL-UHFFFAOYSA-N
TotalMolweight	455.379
Molweight	455.379
MonoisotopicMass	454.046292
CLogP	4.8449
CLogS	-5.711
H Acceptors	5
H Donors	1
TotalSurfaceArea	297.73
Relative PSA	0.2381
PolarSurfaceArea	85.83
Druglikeness	7.2461
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	7
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromo-2-thiophen-2-ylquinoline-4-carboxamide | 2 - N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-6-bromo-2-thiophen-2-ylquinoline-4-carboxamide

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