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

Formula:C23H24N6O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
MolName(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC23H24N6O3S2
SmilesO=C(/C(/S1)=C/C2=C(NCCCn3cncc3)N=C(C=CC=C3)N3C2=O)N(CC2OCCC2)C1=S
InChIInChI=1S/C23H24N6O3S2/c30-21-17(13-18-22(31)29(23(33)34-18)14-16-5-3-12-32-16)20(26-19-6-1-2-10-28(19)21)25-7-4-9-27-11-8-24-15-27/h1-2,6,8,10-11,13,15-16,25H,3-5,7,9,12,14H2/t16-/m1/s1
InChIKRDDHHPZFKLZSHJ-MRXNPFEDSA-N
TotalMolweight496.615
Molweight496.615
MonoisotopicMass496.135129
CLogP-0.3433
CLogS-3.822
H Acceptors9
H Donors1
TotalSurfaceArea367.4
Relative PSA0.35242
PolarSurfaceArea149.45
Druglikeness5.5962
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings1
Aromatic Atoms5
Sp3Atoms11
Amides2
Aromatic Nitrogens2
BasicNitrogens2
StereoConracemate

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