N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

Formula:C31H26N6OBrF Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
MolecularFormula	C31H26N6OBrF
Smiles	Fc1c(N2CCOCC2)nc(N/N=C\c(cc2-c3ccccc3)c(-c3ccccc3)n2-c(cc2)ccc2Br)nc1
InChI	InChI=1S/C31H26BrFN6O/c32-25-11-13-26(14-12-25)39-28(22-7-3-1-4-8-22)19-24(29(39)23-9-5-2-6-10-23)20-35-37-31-34-21-27(33)30(36-31)38-15-17-40-18-16-38/h1-14,19-21H,15-18H2,(H,34,36,37)
InChIK	CAMCHFDQBXIFLS-UHFFFAOYSA-N
TotalMolweight	597.49
Molweight	597.49
MonoisotopicMass	596.133548
CLogP	8.1789
CLogS	-10.061
H Acceptors	7
H Donors	1
TotalSurfaceArea	422.06
Relative PSA	0.15479
PolarSurfaceArea	67.57
Druglikeness	0.91183
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.45
Fragments	1
Non HAtoms	40
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	6
Symmetricatoms	8
Aromatic Nitrogens	3
BasicNitrogens	2
StereoCon

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