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

Formula:C23H27N5O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC23H27N5O4S2
SmilesOCCN(CC1)CCN1C(N=C1N2C=CC=C1)=C(/C=C(/C(N1CC3OCCC3)=O)\SC1=S)C2=O
InChIInChI=1S/C23H27N5O4S2/c29-12-11-25-7-9-26(10-8-25)20-17(21(30)27-6-2-1-5-19(27)24-20)14-18-22(31)28(23(33)34-18)15-16-4-3-13-32-16/h1-2,5-6,14,16,29H,3-4,7-13,15H2/t16-/m1/s1
InChIKDKNZUNQWWRARKV-MRXNPFEDSA-N
TotalMolweight501.63
Molweight501.63
MonoisotopicMass501.150445
CLogP-0.6109
CLogS-3.137
H Acceptors9
H Donors1
TotalSurfaceArea362.95
Relative PSA0.33167
PolarSurfaceArea146.31
Druglikeness7.2995
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond6
Rings Closures5
Small Rings5
Sp3Atoms16
Symmetricatoms2
Amides2
Amines1
AlkylAmines1
BasicNitrogens2
StereoConracemate

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