(E)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile

Formula:C27H24N8O Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile
MolecularFormula	C27H24N8O
Smiles	N#CCCn(cc1/C=C(/c(n2-c3ccccc3)nnc2N2CCOCC2)\C#N)nc1-c1ccccc1
InChI	InChI=1S/C27H24N8O/c28-12-7-13-34-20-23(25(32-34)21-8-3-1-4-9-21)18-22(19-29)26-30-31-27(33-14-16-36-17-15-33)35(26)24-10-5-2-6-11-24/h1-6,8-11,18,20H,7,13-17H2
InChIK	YBGMMQMZFZSVHG-UHFFFAOYSA-N
TotalMolweight	476.543
Molweight	476.543
MonoisotopicMass	476.207307
CLogP	2.2614
CLogS	-6.494
H Acceptors	9
TotalSurfaceArea	384.71
Relative PSA	0.22698
PolarSurfaceArea	108.58
Druglikeness	-2.9541
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	7
Symmetricatoms	6
Aromatic Nitrogens	5
StereoCon

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1 - (E)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile | 2 - (E)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile

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