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(5Z)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C27H22N5O3FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC27H22N5O3FS2
SmilesO=C(/C(/S1)=C/C2=C(N(CC3)CCN3c(cc3)ccc3F)N=C(C=CC=C3)N3C2=O)N(Cc2ccco2)C1=S
InChIInChI=1S/C27H22FN5O3S2/c28-18-6-8-19(9-7-18)30-11-13-31(14-12-30)24-21(25(34)32-10-2-1-5-23(32)29-24)16-22-26(35)33(27(37)38-22)17-20-4-3-15-36-20/h1-10,15-16H,11-14,17H2
InChIKVZBYCDZEWSBFOO-UHFFFAOYSA-N
TotalMolweight547.634
Molweight547.634
MonoisotopicMass547.114808
CLogP1.8125
CLogS-5.823
H Acceptors8
TotalSurfaceArea394.36
Relative PSA0.28246
PolarSurfaceArea129.99
Druglikeness5.6948
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.5
Fragments1
Non HAtoms38
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms7
Symmetricatoms4
Amides2
Amines1
Aromatic Amines1
BasicNitrogens1
StereoCon

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