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

Formula:C22H19N9O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carboxamide
MolecularFormula	C22H19N9O2Cl2
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2cccc(Cl)c2Cl)=O)c1CN(CCC1)c2c1cccc2
InChI	InChI=1S/C22H19Cl2N9O2/c23-15-8-3-6-14(18(15)24)11-26-28-22(34)19-17(33(31-27-19)21-20(25)29-35-30-21)12-32-10-4-7-13-5-1-2-9-16(13)32/h1-3,5-6,8-9,11H,4,7,10,12H2,(H2,25,29)(H,28,34)
InChIK	ZCMVZQRPQWWDKU-UHFFFAOYSA-N
TotalMolweight	512.36
Molweight	512.36
MonoisotopicMass	511.103875
CLogP	4.7553
CLogS	-4.902
H Acceptors	11
H Donors	2
TotalSurfaceArea	371.64
Relative PSA	0.32206
PolarSurfaceArea	140.35
Druglikeness	2.5089
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	5
StereoCon

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

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