2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-phenyl-1,3-thiazole

Formula:C29H25N3S Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-phenyl-1,3-thiazole is not a drug-like molecule.

MolName	2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-phenyl-1,3-thiazole
MolecularFormula	C29H25N3S
Smiles	C(CC(C1c2ccccc2)C2=NN1c1nc(-c3ccccc3)cs1)C/C2=C\c1ccccc1
InChI	InChI=1S/C29H25N3S/c1-4-11-21(12-5-1)19-24-17-10-18-25-27(24)31-32(28(25)23-15-8-3-9-16-23)29-30-26(20-33-29)22-13-6-2-7-14-22/h1-9,11-16,19-20,25,28H,10,17-18H2
InChIK	IOBMATCHVGMUTN-UHFFFAOYSA-N
TotalMolweight	447.605
Molweight	447.605
MonoisotopicMass	447.176917
CLogP	7.6818
CLogS	-6.846
H Acceptors	3
TotalSurfaceArea	344.5
Relative PSA	0.13466
PolarSurfaceArea	56.73
Druglikeness	1.5422
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	2
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	6
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	unknown chirality

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1 - 2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-phenyl-1,3-thiazole | 2 - 2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-4-phenyl-1,3-thiazole

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