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[4-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Formula:C35H36N6OClFS Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.
MolName[4-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
MolecularFormulaC35H36N6OClFS
SmilesO=C(c1ccc(CSc2nc(N(CC3)CCN3c(cccc3)c3F)cc(Cl)n2)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C35H36ClFN6OS/c36-32-25-33(42-23-21-41(22-24-42)31-11-5-4-10-30(31)37)39-35(38-32)45-26-28-12-14-29(15-13-28)34(44)43-19-17-40(18-20-43)16-6-9-27-7-2-1-3-8-27/h1-15,25H,16-24,26H2
InChIKNWGOXEQYTNSXNR-UHFFFAOYSA-N
TotalMolweight643.229
Molweight643.229
MonoisotopicMass642.234384
CLogP6.6921
CLogS-6.65
H Acceptors7
TotalSurfaceArea485.37
Relative PSA0.13736
PolarSurfaceArea81.11
Druglikeness6.9354
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64444
Fragments1
Non HAtoms45
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms13
Symmetricatoms8
Amides1
Amines2
AlkylAmines1
Aromatic Amines1
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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