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[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[2-[[5-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methanone

Formula:C32H28N7OF3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[2-[[5-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methanone is not a drug-like molecule.
MolName[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[2-[[5-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methanone
MolecularFormulaC32H28N7OF3S2
SmilesO=C(c1csc(CSc2nnc(-c3cnccc3)n2-c2cc(C(F)(F)F)ccc2)n1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C32H28F3N7OS2/c33-32(34,35)25-11-4-12-26(19-25)42-29(24-10-5-13-36-20-24)38-39-31(42)45-22-28-37-27(21-44-28)30(43)41-17-15-40(16-18-41)14-6-9-23-7-2-1-3-8-23/h1-13,19-21H,14-18,22H2
InChIKHDSJCMNVRCYYMH-UHFFFAOYSA-N
TotalMolweight647.748
Molweight647.748
MonoisotopicMass647.174882
CLogP5.4329
CLogS-8.287
H Acceptors8
TotalSurfaceArea473.34
Relative PSA0.22973
PolarSurfaceArea133.58
Druglikeness3.424
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.53333
Fragments1
Non HAtoms45
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond10
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms9
Symmetricatoms6
Amides1
Amines1
AlkylAmines1
Aromatic Nitrogens5
BasicNitrogens1
StereoCon

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