1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]triazole-4-carboxamide

Formula:C22H20N10O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]triazole-4-carboxamide
MolecularFormula	C22H20N10O4
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2[N+]([O-])=O)=O)c1CN(CCC1)c2c1cccc2
InChI	InChI=1S/C22H20N10O4/c23-20-21(28-36-27-20)31-18(13-30-11-3-5-15-4-1-2-6-17(15)30)19(25-29-31)22(33)26-24-12-14-7-9-16(10-8-14)32(34)35/h1-2,4,6-10,12H,3,5,11,13H2,(H2,23,27)(H,26,33)
InChIK	NRZUFDNZGHCZEI-UHFFFAOYSA-N
TotalMolweight	488.467
Molweight	488.467
MonoisotopicMass	488.1669
CLogP	2.6217
CLogS	-3.89
H Acceptors	14
H Donors	2
TotalSurfaceArea	364.47
Relative PSA	0.41186
PolarSurfaceArea	186.17
Druglikeness	-2.5771
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Symmetricatoms	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	5
AcidicOxygens	1
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]triazole-4-carboxamide

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