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(5Z)-3-(oxolan-2-ylmethyl)-5-[[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C27H27N5O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(oxolan-2-ylmethyl)-5-[[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-3-(oxolan-2-ylmethyl)-5-[[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC27H27N5O3S2
SmilesO=C(/C(/S1)=C/C2=C(N(CC3)CCN3c3ccccc3)N=C(C=CC=C3)N3C2=O)N(CC2OCCC2)C1=S
InChIInChI=1S/C27H27N5O3S2/c33-25-21(17-22-26(34)32(27(36)37-22)18-20-9-6-16-35-20)24(28-23-10-4-5-11-31(23)25)30-14-12-29(13-15-30)19-7-2-1-3-8-19/h1-5,7-8,10-11,17,20H,6,9,12-16,18H2/t20-/m1/s1
InChIKHTZUZIAIABXDHM-HXUWFJFHSA-N
TotalMolweight533.675
Molweight533.675
MonoisotopicMass533.15553
CLogP1.4047
CLogS-5.189
H Acceptors8
TotalSurfaceArea388.84
Relative PSA0.2759
PolarSurfaceArea126.08
Druglikeness5.8138
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.48649
Fragments1
Non HAtoms37
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms12
Symmetricatoms4
Amides2
Amines1
Aromatic Amines1
BasicNitrogens1
StereoConracemate

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