4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-4-(4-phenylpiperazin-1-yl)butanamide

Formula:C20H22N6O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-4-(4-phenylpiperazin-1-yl)butanamide is a drug-like molecule.

MolName	4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)-4-(4-phenylpiperazin-1-yl)butanamide
MolecularFormula	C20H22N6O3
Smiles	O=C(CCC(N(CC1)CCN1c1ccccc1)=O)Nc(cc1)nc(N2)c1NC2=O
InChI	InChI=1S/C20H22N6O3/c27-17(22-16-7-6-15-19(23-16)24-20(29)21-15)8-9-18(28)26-12-10-25(11-13-26)14-4-2-1-3-5-14/h1-7H,8-13H2,(H3,21,22,23,24,27,29)
InChIK	XCUPPDVULCABPF-UHFFFAOYSA-N
TotalMolweight	394.434
Molweight	394.434
MonoisotopicMass	394.175339
CLogP	1.3832
CLogS	-4.214
H Acceptors	9
H Donors	3
TotalSurfaceArea	295.57
Relative PSA	0.30981
PolarSurfaceArea	106.67
Druglikeness	5.994
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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