N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

Formula:C27H19N8Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is not a drug-like molecule.

MolName	N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
MolecularFormula	C27H19N8Cl
Smiles	Clc(cc1)ccc1-c(c(/C=N\Nc1ncnc2c1cnn2-c1ccccc1)c1)nn1-c1ccccc1
InChI	InChI=1S/C27H19ClN8/c28-21-13-11-19(12-14-21)25-20(17-35(34-25)22-7-3-1-4-8-22)15-31-33-26-24-16-32-36(27(24)30-18-29-26)23-9-5-2-6-10-23/h1-18H,(H,29,30,33)
InChIK	ZDZCEKNXUMUKGS-UHFFFAOYSA-N
TotalMolweight	490.957
Molweight	490.957
MonoisotopicMass	490.142119
CLogP	5.9227
CLogS	-7
H Acceptors	8
H Donors	1
TotalSurfaceArea	371.98
Relative PSA	0.21665
PolarSurfaceArea	85.81
Druglikeness	4.0879
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	32
Symmetricatoms	6
Aromatic Nitrogens	6
StereoCon

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