5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione

Formula:C24H23N5O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione is a drug-like molecule.

MolName	5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-1-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
MolecularFormula	C24H23N5O5
Smiles	CCOc(cc1)ccc1N(C(O)=C(/C=N/C(C1=O)=C(C)N(C)N1c1ccccc1)C(N1)=O)C1=O
InChI	InChI=1S/C24H23N5O5/c1-4-34-18-12-10-16(11-13-18)28-22(31)19(21(30)26-24(28)33)14-25-20-15(2)27(3)29(23(20)32)17-8-6-5-7-9-17/h5-14,31H,4H2,1-3H3,(H,26,30,33)
InChIK	KPPBJSLEPTXXHI-UHFFFAOYSA-N
TotalMolweight	461.477
Molweight	461.477
MonoisotopicMass	461.16992
CLogP	1.0988
CLogS	-5.175
H Acceptors	10
H Donors	2
TotalSurfaceArea	339.12
Relative PSA	0.28261
PolarSurfaceArea	114.78
Druglikeness	5.5258
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	polar activated DB; twice activated DB; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	2
BasicNitrogens	1
StereoCon

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