3-[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]chromen-2-one

Formula:C32H25N3O2S Mutagenic:none Tumorigenic:high Reproductive Effective:low 3-[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]chromen-2-one is not a drug-like molecule.

MolName	3-[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]chromen-2-one
MolecularFormula	C32H25N3O2S
Smiles	O=C1Oc(cccc2)c2C=C1c1cnc(N(C(C2CCC3)c4ccccc4)N=C2/C3=C\c2ccccc2)s1
InChI	InChI=1S/C32H25N3O2S/c36-31-26(19-23-14-7-8-17-27(23)37-31)28-20-33-32(38-28)35-30(22-12-5-2-6-13-22)25-16-9-15-24(29(25)34-35)18-21-10-3-1-4-11-21/h1-8,10-14,17-20,25,30H,9,15-16H2
InChIK	RUWICQKHWKCDCC-UHFFFAOYSA-N
TotalMolweight	515.635
Molweight	515.635
MonoisotopicMass	515.166747
CLogP	7.1068
CLogS	-6.889
H Acceptors	5
TotalSurfaceArea	383.46
Relative PSA	0.18106
PolarSurfaceArea	83.03
Druglikeness	1.4592
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	low
Nasty Functions
Shape Index	0.47368
Fragments	1
Non HAtoms	38
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	4
Rings Closures	7
Small Rings	7
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	unknown chirality

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1 - 3-[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]chromen-2-one | 2 - 3-[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-5-yl]chromen-2-one

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