3-cyclohexyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Formula:C29H33N5O Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-cyclohexyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is not a drug-like molecule.

MolName	3-cyclohexyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
MolecularFormula	C29H33N5O
Smiles	O=C1N(C2CCCCC2)C(N/N=C\c2ccncc2)=NC2=C1C1(CCCCC1)Cc1c2cccc1
InChI	InChI=1S/C29H33N5O/c35-27-25-26(24-12-6-5-9-22(24)19-29(25)15-7-2-8-16-29)32-28(34(27)23-10-3-1-4-11-23)33-31-20-21-13-17-30-18-14-21/h5-6,9,12-14,17-18,20,23H,1-4,7-8,10-11,15-16,19H2,(H,32,33)
InChIK	QQHGNNCSTPBTEG-UHFFFAOYSA-N
TotalMolweight	467.615
Molweight	467.615
MonoisotopicMass	467.26851
CLogP	5.5571
CLogS	-6.587
H Acceptors	6
H Donors	1
TotalSurfaceArea	362.21
Relative PSA	0.17128
PolarSurfaceArea	69.95
Druglikeness	0.92954
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - 3-cyclohexyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one | 2 - 3-cyclohexyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

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