4-chloro-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide

Formula:C27H22N4O3ClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-chloro-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	4-chloro-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide
MolecularFormula	C27H22N4O3ClF3
Smiles	O=C(/C(/NC(c(cc1)ccc1Cl)=O)=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1)NCCCn1cncc1
InChI	InChI=1S/C27H22ClF3N4O3/c28-21-7-5-18(6-8-21)25(36)34-23(26(37)33-11-2-13-35-14-12-32-17-35)16-22-9-10-24(38-22)19-3-1-4-20(15-19)27(29,30)31/h1,3-10,12,14-17H,2,11,13H2,(H,33,37)(H,34,36)
InChIK	MMAXJDYDAAMMLO-UHFFFAOYSA-N
TotalMolweight	542.944
Molweight	542.944
MonoisotopicMass	542.133252
CLogP	5.2004
CLogS	-6.025
H Acceptors	7
H Donors	2
TotalSurfaceArea	399.48
Relative PSA	0.20264
PolarSurfaceArea	89.16
Druglikeness	-0.23179
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47368
Fragments	1
Non HAtoms	38
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - 4-chloro-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide | 2 - 4-chloro-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]benzamide

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