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[2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]-4-chlorophenyl] morpholine-4-carboxylate

Formula:C27H27N10O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]-4-chlorophenyl] morpholine-4-carboxylate is not a drug-like molecule.
MolName[2-[(Z)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]-4-chlorophenyl] morpholine-4-carboxylate
MolecularFormulaC27H27N10O5Cl
SmilesNc1nonc1-n1nnc(C(N/N=C\c(cc(cc2)Cl)c2OC(N2CCOCC2)=O)=O)c1CN(CCC1)c2c1cccc2
InChIInChI=1S/C27H27ClN10O5/c28-19-7-8-22(42-27(40)36-10-12-41-13-11-36)18(14-19)15-30-32-26(39)23-21(38(35-31-23)25-24(29)33-43-34-25)16-37-9-3-5-17-4-1-2-6-20(17)37/h1-2,4,6-8,14-15H,3,5,9-13,16H2,(H2,29,33)(H,32,39)
InChIKRJRRMYXASGIIPX-UHFFFAOYSA-N
TotalMolweight607.029
Molweight607.029
MonoisotopicMass606.185442
CLogP4.1005
CLogS-4.35
H Acceptors15
H Donors2
TotalSurfaceArea445.81
Relative PSA0.35055
PolarSurfaceArea179.12
Druglikeness-2.7711
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.46512
Fragments1
Non HAtoms43
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms11
Symmetricatoms2
Amides1
Amines1
Aromatic Amines1
Aromatic Nitrogens5
StereoCon

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