(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile

Formula:C24H13N4O2BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile
MolecularFormula	C24H13N4O2BrS
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\Nc1cc2cccnc2cc1
InChI	InChI=1S/C24H13BrN4O2S/c25-17-3-6-22-15(8-17)10-19(24(30)31-22)21-13-32-23(29-21)16(11-26)12-28-18-4-5-20-14(9-18)2-1-7-27-20/h1-10,12-13,28H
InChIK	XYGLLDGLFYBVMK-UHFFFAOYSA-N
TotalMolweight	501.363
Molweight	501.363
MonoisotopicMass	499.994257
CLogP	3.5216
CLogS	-5.88
H Acceptors	6
H Donors	1
TotalSurfaceArea	336.31
Relative PSA	0.26868
PolarSurfaceArea	116.14
Druglikeness	-2.9087
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Aromatic Nitrogens	2
StereoCon

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