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2-[(5E)-5-[[2-(4-carbamoylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Formula:C20H19N5O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5E)-5-[[2-(4-carbamoylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.
MolName2-[(5E)-5-[[2-(4-carbamoylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormulaC20H19N5O5S2
SmilesNC(C(CC1)CCN1C(N=C1N2C=CC=C1)=C(/C=C(\C(N1CC(O)=O)=O)/SC1=S)C2=O)=O
InChIInChI=1S/C20H19N5O5S2/c21-16(28)11-4-7-23(8-5-11)17-12(18(29)24-6-2-1-3-14(24)22-17)9-13-19(30)25(10-15(26)27)20(31)32-13/h1-3,6,9,11H,4-5,7-8,10H2,(H2,21,28)(H,26,27)
InChIKXOSVUNNASKSYSR-UHFFFAOYSA-N
TotalMolweight473.533
Molweight473.533
MonoisotopicMass473.08276
CLogP-1.6695
CLogS-3.532
H Acceptors10
H Donors2
TotalSurfaceArea331.37
Relative PSA0.44717
PolarSurfaceArea194
Druglikeness2.6705
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.46875
Fragments1
Non HAtoms32
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond5
Rings Closures4
Small Rings4
Sp3Atoms9
Symmetricatoms2
Amides3
BasicNitrogens1
AcidicOxygens1
StereoCon

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